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Acta Crystallographica Section E: Structure Reports Online logoLink to Acta Crystallographica Section E: Structure Reports Online
. 2008 Jul 31;64(Pt 8):m1100–m1101. doi: 10.1107/S1600536808023696

catena-Poly[bis­[octa­kis(dimethyl sulf­oxide)praseodymium(III)] hexa-μ3-sulfido-dodeca-μ2-sulfido-hexa­sul­fido­hexa­silverhexa­molybdenum]

Zhengjing Jiang a,b, Guodong Tang a,b, Rongqing Li a, Yu Zhang a,*
PMCID: PMC2962003  PMID: 21203073

Abstract

The title compound, {[Pr(C2H6OS)8]2[Mo6Ag6S24]}n, contains polymeric Mo6S24Ag6 2− anions and [Pr(Me2SO)8]3+ cations, forming a one-dimensional polymeric Mo/S/Ag cluster. The anion assumes the conformation of a zigzag chain. The trivalent cations are arrayed amongst the anionic chains and are well separated from each other. Each Mo and Ag atom is coordinated by four S atoms in a distorted tetra­hedral geometry. The Pr3+ atom is coordinated by eight dimethyl sulfoxide ligands, forming a polyhedron-shaped distorted square anti­prism.

Related literature

The two most relevant known analogs are {[Ca(dmf)6][Mo2S8Ag2]}n (Yu et al., 1998) and {[Ca(dmso)6]2[W4S16Ag4]}n (Huang et al., 1996). For related literature, see: Du et al. (1992); Holloway & Melnik (1993); Holm (1992); Hou et al. (1996); Naruta et al. (1994); Niu et al. (2004); Plotnikova et al. (2004); Zhang et al. (2001). graphic file with name e-64-m1100-scheme1.jpg

Experimental

Crystal data

  • [Pr(C2H6OS)8]2[Mo6Ag6S24]

  • M r = 3524.17

  • Triclinic, Inline graphic

  • a = 15.1808 (15) Å

  • b = 17.6200 (17) Å

  • c = 19.960 (2) Å

  • α = 89.912 (2)°

  • β = 89.768 (3)°

  • γ = 87.616 (3)°

  • V = 5334.4 (9) Å3

  • Z = 2

  • Mo Kα radiation

  • μ = 3.47 mm−1

  • T = 291 (2) K

  • 0.30 × 0.26 × 0.24 mm

Data collection

  • Bruker SMART APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2000) T min = 0.375, T max = 0.435

  • 63226 measured reflections

  • 19555 independent reflections

  • 16163 reflections with I > 2σ(I)

  • R int = 0.040

Refinement

  • R[F 2 > 2σ(F 2)] = 0.049

  • wR(F 2) = 0.111

  • S = 1.03

  • 19555 reflections

  • 951 parameters

  • Δρmax = 0.87 e Å−3

  • Δρmin = −1.56 e Å−3

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXL97; software used to prepare material for publication: SHELXL97 and PLATON (Spek, 2003).

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808023696/pv2090sup1.cif

e-64-m1100-sup1.cif (50.6KB, cif)

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808023696/pv2090Isup2.hkl

e-64-m1100-Isup2.hkl (1,000.5KB, hkl)

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Acknowledgments

This work was financially supported by the Natural Science Foundation of Jiangsu Province Education office (No. 04KJB150015). We thank Dr Zaichao Zhang for his support.

supplementary crystallographic information

Comment

The thiometalates, such as tetrathiotungstate and tetrathiomolybdate, have been extensively used in the synthesis of transition metal sulfides (Holloway et al., 1993), since these moities can surve as multidentate ligands to coordinate with various transithion metals, including Cu, Ag, Au, Zn, Cd, Hg, Fe, Co, Ni, Pd, Pt, Sn and Ru to form a wide range novel structure complexes (Hou et al., 1996; Niu et al., 2004). Up to now, more than 300 heterothiometallic cluster compounds containing these moieties have been synthesized and studied extensively (Zhang et al., 2001). These complexes play a special role in catalysis reactions (Du et al., 1992), biological processes (Holm et al., 1992) and advanced materials (Naruta et al., 1994). Herein, the synthesis and structure of a novel polymeric Mo—Ag—S complex, [Mo6S24Ag6][Pr(dmso)8]2 (dmso= dimethylsulfoxide) (I), is reported.

The asymmetric unit of (I) comprises polymeric anion (Mo6S24Ag6)n6n- and two [Pr(Me2SO)8]3+ cations to form a Mo/S/Ag cluster (Fig. 1). The repeat unit in the anionic chain consists of six butterfly-shaped sub-units joined together by shared silver atoms, which can be viewed as a zigzag chain propagated by cell translation along the c -axis. Each Mo atom is coordinated by one terminal S, two µ2-S and one µ3-S to form a distorted tetrahedron with S—Mo—S angles varying from 106.70 (7) to 113.42 (6) °. Each Ag atom is coordinated by twoµ2-S, and twoµ3-S to form a distorted tetrahedron, with S—Ag—S angles in the range 89.13 (5) to 142.30 (5) °. The bond distances Mo—S and Ag—S are 2.1156 (18) to 2.2611 (17) Å and 2.4893 (17) to 2.7032 (16) Å, respectively, which are comparable to the values observed in similar compounds (Yu et al., 1998). The Pr3+ is coordinated with eight dmso molecules to form a polyhedron shaped like distorted square antiprism, with Pr—O bond lengths in the range 2.379 (5)–2.521 (4) Å, which are similar to the reported values, 2.432 (6) to 2.476 (6) Å, for the related compound (Plotnikova et al., 2004).

Experimental

AgI (0.235 g, 1 mmol) was added to a solution of (NH4)2MoS4 (0.260 g, 1 mmol in 10 ml dmso) with thorough stir for 20 minutes. The solution underwent an additional stirring for one minute after 0.5 mmol Pr(NO3)3 . 6H2O was added. After filtration the dark-red filtrate was carefully laid on the surface with 10 ml i-PrOH. Dark-red crystals were obtained after two weeks.

Refinement

H atoms were positioned geometrically in a riding mode with C—H = 0.96 Å and Uiso = 1.5Ueq times the methyl C atoms. The highest electron density peak in the final difference map was located close to Pr2 and was deemed meaningless.

Figures

Fig. 1.

Fig. 1.

The molecular structure of (I), with atom labels and 30% probability displacement ellipsoids. All H atoms have been omitted.

Crystal data

[Pr(C2H6OS)8]2[Mo6Ag6S24] Z = 2
Mr = 3524.17 F000 = 3416
Triclinic, P1 Dx = 2.194 Mg m3
Hall symbol: -P 1 Mo Kα radiation λ = 0.71073 Å
a = 15.1808 (15) Å Cell parameters from 19555 reflections
b = 17.6200 (17) Å θ = 2.1–25.5º
c = 19.960 (2) Å µ = 3.47 mm1
α = 89.912 (2)º T = 291 (2) K
β = 89.768 (3)º Block, black-red
γ = 87.616 (3)º 0.30 × 0.26 × 0.24 mm
V = 5334.4 (9) Å3

Data collection

Bruker SMART ApexII CCD diffractometer 19555 independent reflections
Radiation source: fine-focus sealed tube 16163 reflections with I > 2σ(I)
Monochromator: graphite Rint = 0.040
T = 291(2) K θmax = 25.5º
phi and ω scans θmin = 1.2º
Absorption correction: multi-scan(SADABS; Bruker, 2000) h = −18→18
Tmin = 0.375, Tmax = 0.435 k = −21→21
63226 measured reflections l = −24→21

Refinement

Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full with fixed elements per cycle Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.049 H-atom parameters constrained
wR(F2) = 0.111   w = 1/[σ2(Fo2) + (0.070P)2] where P = (Fo2 + 2Fc2)/3
S = 1.03 (Δ/σ)max < 0.001
19555 reflections Δρmax = 0.87 e Å3
951 parameters Δρmin = −1.56 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none

Special details

Experimental. Yield: 0.377 g in pure form, 63.6% (based on Mo). Analysis calculated for C32H96Ag6Mo6O16Pr2S40: C 10.91, H 2.75%; found: C 10.82, H 2.86%.
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

x y z Uiso*/Ueq
Ag1 0.78546 (3) 0.27180 (3) 0.04430 (3) 0.02200 (10)
Ag2 0.87061 (3) 0.43334 (3) 0.18316 (2) 0.01931 (10)
Ag3 0.84246 (3) 0.37447 (3) 0.38218 (2) 0.02125 (10)
Ag4 0.70699 (3) 0.22873 (3) 0.54426 (3) 0.02098 (10)
Ag5 0.62965 (3) 0.06681 (3) 0.68251 (2) 0.01838 (10)
Ag6 0.65666 (3) 0.12879 (3) 0.88251 (3) 0.02199 (10)
C1 0.8958 (5) 0.9234 (5) −0.0213 (4) 0.0334 (18)
H1A 0.9466 0.9536 −0.0169 0.050*
H1B 0.8691 0.9328 −0.0643 0.050*
H1C 0.9133 0.8705 −0.0177 0.050*
C2 0.8145 (4) 1.0521 (4) 0.0348 (4) 0.0246 (14)
H2A 0.7557 1.0702 0.0239 0.037*
H2B 0.8540 1.0653 −0.0006 0.037*
H2C 0.8325 1.0749 0.0758 0.037*
C3 0.9335 (5) 1.1728 (5) 0.2546 (5) 0.045 (2)
H3A 0.9868 1.1415 0.2563 0.068*
H3B 0.9344 1.2104 0.2893 0.068*
H3C 0.9293 1.1975 0.2117 0.068*
C4 0.7575 (5) 1.1766 (4) 0.2372 (5) 0.0369 (19)
H4A 0.7282 1.1535 0.2004 0.055*
H4B 0.7824 1.2230 0.2225 0.055*
H4C 0.7158 1.1874 0.2726 0.055*
C5 0.5570 (6) 1.0542 (4) 0.1992 (4) 0.0377 (19)
H5A 0.6021 1.0742 0.2270 0.056*
H5B 0.5083 1.0403 0.2268 0.056*
H5C 0.5374 1.0922 0.1675 0.056*
C6 0.5746 (4) 1.0049 (4) 0.0764 (3) 0.0239 (14)
H6A 0.5765 1.0593 0.0754 0.036*
H6B 0.5165 0.9901 0.0648 0.036*
H6C 0.6165 0.9835 0.0448 0.036*
C7 0.6163 (5) 1.0313 (4) 0.4018 (4) 0.0328 (17)
H7A 0.6447 1.0789 0.4000 0.049*
H7B 0.5959 1.0225 0.4467 0.049*
H7C 0.5670 1.0327 0.3717 0.049*
C8 0.7746 (5) 0.9889 (4) 0.4284 (4) 0.0312 (16)
H8A 0.8307 0.9702 0.4115 0.047*
H8B 0.7666 0.9706 0.4732 0.047*
H8C 0.7727 1.0434 0.4285 0.047*
C9 1.0710 (6) 1.0131 (5) 0.3723 (5) 0.044 (2)
H9A 1.1160 1.0095 0.3383 0.066*
H9B 1.0976 1.0074 0.4156 0.066*
H9C 1.0404 1.0618 0.3694 0.066*
C10 1.0723 (5) 0.8691 (5) 0.3279 (4) 0.039 (2)
H10A 1.0574 0.8562 0.2827 0.059*
H10B 1.0725 0.8244 0.3554 0.059*
H10C 1.1297 0.8901 0.3285 0.059*
C11 0.7288 (5) 0.7341 (5) 0.3713 (5) 0.042 (2)
H11A 0.7236 0.6802 0.3756 0.063*
H11B 0.6798 0.7551 0.3461 0.063*
H11C 0.7289 0.7568 0.4150 0.063*
C12 0.9034 (5) 0.7244 (5) 0.3821 (4) 0.0343 (18)
H12A 0.9443 0.7636 0.3897 0.051*
H12B 0.9345 0.6798 0.3653 0.051*
H12C 0.8746 0.7124 0.4235 0.051*
C13 0.6233 (5) 0.7258 (4) 0.1818 (4) 0.0349 (18)
H13A 0.6555 0.6992 0.2165 0.052*
H13B 0.5996 0.6897 0.1514 0.052*
H13C 0.5760 0.7562 0.2014 0.052*
C14 0.7488 (5) 0.7190 (4) 0.0897 (4) 0.0303 (16)
H14A 0.7840 0.7434 0.0566 0.045*
H14B 0.7065 0.6886 0.0677 0.045*
H14C 0.7861 0.6872 0.1176 0.045*
C15 1.0379 (5) 0.7185 (4) 0.1564 (4) 0.0327 (17)
H15A 1.0847 0.7110 0.1243 0.049*
H15B 1.0014 0.6753 0.1561 0.049*
H15C 1.0625 0.7242 0.2002 0.049*
C16 1.0620 (5) 0.8539 (5) 0.1084 (5) 0.041 (2)
H16A 1.0395 0.9045 0.0990 0.061*
H16B 1.0876 0.8321 0.0684 0.061*
H16C 1.1062 0.8556 0.1426 0.061*
C17 0.4200 (5) 0.6293 (5) 0.8322 (4) 0.0332 (18)
H17A 0.4525 0.6748 0.8348 0.050*
H17B 0.3985 0.6166 0.8760 0.050*
H17C 0.3711 0.6373 0.8023 0.050*
C18 0.4629 (6) 0.4856 (5) 0.8743 (5) 0.050 (2)
H18A 0.5005 0.4405 0.8714 0.075*
H18B 0.4024 0.4722 0.8713 0.075*
H18C 0.4724 0.5103 0.9164 0.075*
C19 0.6012 (6) 0.7740 (5) 0.8559 (5) 0.052 (2)
H19A 0.6192 0.8171 0.8306 0.078*
H19B 0.5796 0.7905 0.8990 0.078*
H19C 0.5553 0.7494 0.8323 0.078*
C20 0.7616 (5) 0.7735 (5) 0.8928 (4) 0.038 (2)
H20A 0.8187 0.7482 0.8960 0.058*
H20B 0.7440 0.7926 0.9361 0.058*
H20C 0.7642 0.8150 0.8617 0.058*
C21 0.7209 (4) 0.5185 (4) 0.9328 (3) 0.0260 (15)
H21A 0.6735 0.5562 0.9299 0.039*
H21B 0.7415 0.5154 0.9782 0.039*
H21C 0.7002 0.4701 0.9194 0.039*
C22 0.8955 (4) 0.4710 (4) 0.9029 (4) 0.0259 (15)
H22A 0.8879 0.4256 0.8774 0.039*
H22B 0.8906 0.4597 0.9498 0.039*
H22C 0.9527 0.4900 0.8937 0.039*
C23 0.9432 (6) 0.4461 (4) 0.7015 (4) 0.037 (2)
H23A 0.9331 0.4547 0.7485 0.055*
H23B 1.0054 0.4408 0.6931 0.055*
H23C 0.9155 0.4005 0.6882 0.055*
C24 0.9197 (5) 0.4921 (4) 0.5702 (4) 0.0351 (18)
H24A 0.9771 0.4671 0.5678 0.053*
H24B 0.9175 0.5350 0.5405 0.053*
H24C 0.8759 0.4572 0.5572 0.053*
C25 0.6809 (4) 0.4519 (4) 0.5293 (4) 0.0243 (15)
H25A 0.7230 0.4241 0.5565 0.036*
H25B 0.6940 0.4427 0.4828 0.036*
H25C 0.6227 0.4356 0.5392 0.036*
C26 0.6145 (5) 0.5818 (5) 0.4818 (4) 0.041 (2)
H26A 0.5783 0.6238 0.4983 0.061*
H26B 0.5776 0.5418 0.4681 0.061*
H26C 0.6485 0.5982 0.4443 0.061*
C27 0.4390 (4) 0.6424 (4) 0.6146 (4) 0.0276 (16)
H27A 0.4616 0.5965 0.5936 0.041*
H27B 0.3995 0.6691 0.5844 0.041*
H27C 0.4079 0.6300 0.6549 0.041*
C28 0.4711 (6) 0.7858 (4) 0.6537 (4) 0.0350 (18)
H28A 0.4164 0.7749 0.6753 0.053*
H28B 0.4593 0.8138 0.6132 0.053*
H28C 0.5057 0.8155 0.6831 0.053*
C29 0.7501 (5) 0.3295 (5) 0.7443 (4) 0.0303 (16)
H29A 0.8012 0.3396 0.7178 0.045*
H29B 0.7423 0.2757 0.7458 0.045*
H29C 0.7578 0.3482 0.7889 0.045*
C30 0.5723 (5) 0.3183 (4) 0.7461 (4) 0.0372 (19)
H30A 0.5997 0.2924 0.7834 0.056*
H30B 0.5526 0.2817 0.7145 0.056*
H30C 0.5228 0.3492 0.7617 0.056*
C31 0.7678 (5) 0.7931 (4) 0.5788 (4) 0.0330 (17)
H31A 0.8025 0.7561 0.5537 0.050*
H31B 0.7980 0.8398 0.5805 0.050*
H31C 0.7117 0.8016 0.5575 0.050*
C32 0.8554 (5) 0.7855 (5) 0.6919 (4) 0.042 (2)
H32A 0.8672 0.7631 0.7350 0.063*
H32B 0.8554 0.8398 0.6955 0.063*
H32C 0.9002 0.7684 0.6607 0.063*
Mo1 0.61048 (4) 0.24994 (3) −0.01700 (3) 0.02195 (12)
Mo2 0.95462 (4) 0.33692 (3) 0.07937 (3) 0.02121 (12)
Mo3 0.77241 (4) 0.50147 (3) 0.29754 (3) 0.01952 (11)
Mo4 0.88146 (3) 0.24889 (3) 0.48144 (3) 0.01828 (11)
Mo5 0.53974 (4) 0.15946 (3) 0.57924 (3) 0.02027 (12)
Mo6 0.73016 (3) 0.00388 (3) 0.79719 (3) 0.01753 (11)
O1 0.7860 (3) 0.5247 (3) 0.8064 (3) 0.0288 (11)
O2 0.6332 (3) 0.4512 (3) 0.7360 (3) 0.0345 (12)
O3 0.7990 (3) 0.5091 (3) 0.6592 (2) 0.0267 (10)
O4 0.6308 (3) 0.5630 (3) 0.6109 (3) 0.0321 (12)
O5 0.7596 (4) 0.6741 (3) 0.6534 (3) 0.0329 (12)
O6 0.5575 (3) 0.6695 (3) 0.7031 (2) 0.0272 (11)
O7 0.7184 (3) 0.6894 (3) 0.7999 (3) 0.0278 (11)
O8 0.5866 (3) 0.5777 (3) 0.8189 (3) 0.0317 (12)
O9 0.6996 (3) 0.9815 (3) 0.1620 (3) 0.0352 (12)
O10 0.8465 (3) 1.0588 (3) 0.2127 (3) 0.0341 (12)
O11 0.7216 (3) 0.9764 (3) 0.3074 (3) 0.0300 (11)
O12 0.9460 (3) 0.9716 (3) 0.2996 (3) 0.0313 (11)
O13 0.8328 (3) 0.8390 (3) 0.3232 (3) 0.0281 (11)
O14 0.9421 (3) 0.8320 (3) 0.2026 (2) 0.0294 (11)
O15 0.7539 (3) 0.8055 (3) 0.1910 (3) 0.0347 (12)
O16 0.8656 (3) 0.9315 (3) 0.1070 (3) 0.0330 (12)
Pr1 0.68424 (3) 0.57914 (2) 0.72542 (2) 0.02548 (8)
Pr2 0.82416 (3) 0.92341 (2) 0.22508 (2) 0.02798 (9)
S1 0.80876 (11) 0.54420 (9) 0.87912 (9) 0.0248 (3)
S2 0.65104 (11) 0.37779 (10) 0.70611 (9) 0.0258 (4)
S3 0.89809 (11) 0.52398 (10) 0.65518 (9) 0.0241 (3)
S4 0.68607 (10) 0.54836 (9) 0.54593 (9) 0.0216 (3)
S5 0.75131 (11) 0.75815 (9) 0.66337 (10) 0.0273 (4)
S6 0.52875 (10) 0.70130 (9) 0.63470 (8) 0.0204 (3)
S7 0.68841 (11) 0.71208 (10) 0.86610 (10) 0.0268 (4)
S8 0.49025 (11) 0.55351 (10) 0.80179 (9) 0.0283 (4)
S9 0.60037 (11) 0.97252 (9) 0.15556 (8) 0.0222 (3)
S10 0.84069 (12) 1.11499 (10) 0.26649 (10) 0.0304 (4)
S11 0.69190 (12) 0.95725 (9) 0.37809 (9) 0.0253 (3)
S12 0.99262 (11) 0.93770 (10) 0.35972 (9) 0.0270 (4)
S13 0.83075 (11) 0.75346 (10) 0.32827 (10) 0.0280 (4)
S14 0.97585 (10) 0.79828 (9) 0.13613 (8) 0.0218 (3)
S15 0.69540 (11) 0.78562 (11) 0.13722 (10) 0.0298 (4)
S16 0.81670 (11) 0.94834 (9) 0.04462 (8) 0.0222 (3)
S17 0.54376 (12) 0.35754 (9) −0.01073 (9) 0.0262 (4)
S18 0.73261 (11) 0.25822 (9) −0.08048 (9) 0.0228 (3)
S19 0.64721 (10) 0.21231 (9) 0.08602 (9) 0.0221 (3)
S20 0.93337 (11) 0.21408 (9) 0.07184 (10) 0.0273 (4)
S21 0.82979 (10) 0.40873 (9) 0.06364 (8) 0.0212 (3)
S22 1.01469 (11) 0.35874 (10) 0.17709 (9) 0.0255 (4)
S23 0.84212 (12) 0.56812 (9) 0.22337 (9) 0.0276 (4)
S24 0.76903 (11) 0.37773 (9) 0.27082 (9) 0.0229 (3)
S25 0.82802 (11) 0.51972 (10) 0.39758 (9) 0.0255 (4)
S26 0.97938 (11) 0.32594 (10) 0.43910 (9) 0.0257 (4)
S27 0.76187 (11) 0.24381 (9) 0.41848 (9) 0.0228 (3)
S28 0.84592 (11) 0.28735 (9) 0.58351 (9) 0.0230 (3)
S29 0.55611 (11) 0.28247 (9) 0.57021 (9) 0.0234 (3)
S30 0.66753 (10) 0.09053 (9) 0.56254 (8) 0.0211 (3)
S31 0.48045 (10) 0.13744 (9) 0.67810 (9) 0.0227 (3)
S32 0.66278 (12) −0.06600 (9) 0.72356 (9) 0.0265 (4)
S33 0.72800 (10) 0.12826 (9) 0.76892 (9) 0.0220 (3)
S34 0.67491 (10) −0.01717 (9) 0.89779 (8) 0.0178 (3)
S35 0.51836 (10) 0.16917 (9) −0.05732 (9) 0.0220 (3)
S36 1.04706 (12) 0.36546 (11) 0.00374 (10) 0.0309 (4)
S37 0.63694 (10) 0.54508 (10) 0.29967 (9) 0.0253 (4)
S38 0.94174 (12) 0.13672 (10) 0.48825 (9) 0.0280 (4)
S39 0.44672 (12) 0.12648 (11) 0.50451 (10) 0.0304 (4)
S40 0.86602 (10) −0.03442 (10) 0.79993 (9) 0.0250 (4)

Atomic displacement parameters (Å2)

U11 U22 U33 U12 U13 U23
Ag1 0.0213 (2) 0.0185 (2) 0.0261 (3) 0.00145 (18) −0.0051 (2) −0.00202 (19)
Ag2 0.0233 (2) 0.0186 (2) 0.0162 (2) −0.00268 (18) 0.00113 (18) −0.00311 (18)
Ag3 0.0201 (2) 0.0245 (2) 0.0188 (2) 0.00338 (18) −0.00084 (19) 0.00360 (19)
Ag4 0.0194 (2) 0.0228 (2) 0.0205 (3) 0.00222 (18) 0.00016 (19) 0.00386 (19)
Ag5 0.0162 (2) 0.0221 (2) 0.0168 (2) −0.00022 (17) −0.00191 (18) 0.00371 (19)
Ag6 0.0211 (2) 0.0185 (2) 0.0262 (3) 0.00178 (18) −0.0051 (2) −0.0019 (2)
C1 0.022 (3) 0.055 (5) 0.022 (4) 0.015 (3) −0.010 (3) −0.019 (3)
C2 0.023 (3) 0.024 (3) 0.027 (4) −0.002 (3) 0.009 (3) −0.010 (3)
C3 0.028 (4) 0.053 (5) 0.055 (6) −0.001 (4) −0.011 (4) 0.005 (4)
C4 0.031 (4) 0.024 (4) 0.056 (5) 0.000 (3) −0.021 (4) −0.005 (3)
C5 0.049 (5) 0.030 (4) 0.033 (4) 0.003 (3) 0.007 (4) −0.021 (3)
C6 0.024 (3) 0.026 (3) 0.022 (4) −0.008 (3) 0.004 (3) −0.003 (3)
C7 0.037 (4) 0.035 (4) 0.026 (4) 0.008 (3) −0.015 (3) −0.018 (3)
C8 0.034 (4) 0.035 (4) 0.024 (4) 0.012 (3) 0.001 (3) −0.014 (3)
C9 0.042 (5) 0.047 (5) 0.044 (5) −0.019 (4) 0.007 (4) 0.015 (4)
C10 0.033 (4) 0.049 (5) 0.034 (5) 0.017 (4) 0.019 (3) 0.017 (4)
C11 0.037 (4) 0.042 (5) 0.048 (5) −0.010 (4) 0.014 (4) 0.003 (4)
C12 0.021 (3) 0.045 (4) 0.038 (4) −0.009 (3) −0.001 (3) 0.019 (4)
C13 0.024 (3) 0.026 (4) 0.054 (5) −0.005 (3) 0.023 (3) −0.005 (3)
C14 0.035 (4) 0.019 (3) 0.037 (4) 0.001 (3) 0.009 (3) −0.002 (3)
C15 0.030 (4) 0.022 (3) 0.046 (5) 0.007 (3) −0.010 (3) −0.006 (3)
C16 0.030 (4) 0.042 (5) 0.053 (5) −0.016 (3) −0.014 (4) 0.006 (4)
C17 0.025 (4) 0.049 (5) 0.026 (4) −0.008 (3) −0.012 (3) 0.017 (3)
C18 0.051 (5) 0.048 (5) 0.054 (6) −0.027 (4) −0.002 (4) 0.004 (4)
C19 0.038 (5) 0.054 (5) 0.060 (6) 0.033 (4) 0.012 (4) 0.015 (5)
C20 0.046 (5) 0.045 (5) 0.026 (4) −0.025 (4) 0.019 (3) −0.014 (3)
C21 0.028 (3) 0.033 (4) 0.017 (3) −0.013 (3) 0.001 (3) 0.011 (3)
C22 0.019 (3) 0.037 (4) 0.021 (4) −0.001 (3) −0.008 (3) −0.001 (3)
C23 0.052 (5) 0.020 (3) 0.039 (5) −0.016 (3) −0.030 (4) 0.008 (3)
C24 0.038 (4) 0.033 (4) 0.032 (4) 0.018 (3) 0.007 (3) −0.011 (3)
C25 0.021 (3) 0.028 (3) 0.026 (4) −0.019 (3) 0.006 (3) −0.006 (3)
C26 0.032 (4) 0.057 (5) 0.034 (5) −0.016 (4) 0.011 (3) 0.019 (4)
C27 0.019 (3) 0.032 (4) 0.032 (4) −0.012 (3) −0.011 (3) 0.000 (3)
C28 0.063 (5) 0.012 (3) 0.029 (4) 0.012 (3) 0.017 (4) 0.003 (3)
C29 0.026 (3) 0.042 (4) 0.022 (4) 0.007 (3) 0.001 (3) 0.013 (3)
C30 0.033 (4) 0.033 (4) 0.046 (5) −0.002 (3) −0.020 (4) 0.016 (4)
C31 0.041 (4) 0.016 (3) 0.043 (5) 0.001 (3) −0.005 (3) −0.001 (3)
C32 0.026 (4) 0.061 (5) 0.039 (5) 0.016 (4) −0.021 (3) −0.024 (4)
Mo1 0.0212 (3) 0.0183 (3) 0.0262 (3) 0.0016 (2) −0.0051 (2) −0.0019 (2)
Mo2 0.0216 (3) 0.0202 (3) 0.0215 (3) 0.0035 (2) −0.0024 (2) 0.0008 (2)
Mo3 0.0198 (3) 0.0192 (3) 0.0195 (3) −0.0004 (2) −0.0046 (2) 0.0017 (2)
Mo4 0.0179 (3) 0.0178 (3) 0.0190 (3) 0.0024 (2) 0.0007 (2) 0.0024 (2)
Mo5 0.0198 (3) 0.0196 (3) 0.0210 (3) 0.0037 (2) −0.0003 (2) 0.0017 (2)
Mo6 0.0201 (3) 0.0186 (3) 0.0136 (3) 0.0026 (2) 0.0000 (2) 0.0006 (2)
O1 0.034 (3) 0.016 (2) 0.035 (3) 0.0028 (19) −0.002 (2) −0.001 (2)
O2 0.030 (3) 0.036 (3) 0.038 (3) −0.009 (2) −0.007 (2) 0.003 (2)
O3 0.026 (2) 0.032 (3) 0.022 (3) −0.004 (2) −0.001 (2) −0.004 (2)
O4 0.031 (3) 0.044 (3) 0.020 (3) 0.006 (2) −0.002 (2) −0.015 (2)
O5 0.044 (3) 0.022 (2) 0.033 (3) 0.001 (2) 0.004 (2) 0.005 (2)
O6 0.027 (2) 0.028 (2) 0.026 (3) 0.007 (2) −0.017 (2) −0.009 (2)
O7 0.025 (2) 0.025 (2) 0.033 (3) 0.0097 (19) −0.018 (2) −0.009 (2)
O8 0.025 (2) 0.044 (3) 0.027 (3) −0.006 (2) −0.006 (2) 0.004 (2)
O9 0.035 (3) 0.032 (3) 0.039 (3) −0.002 (2) −0.011 (2) 0.008 (2)
O10 0.022 (2) 0.032 (3) 0.047 (4) 0.000 (2) −0.001 (2) 0.004 (2)
O11 0.036 (3) 0.026 (3) 0.028 (3) −0.004 (2) 0.003 (2) 0.006 (2)
O12 0.034 (3) 0.028 (3) 0.031 (3) 0.010 (2) −0.006 (2) −0.004 (2)
O13 0.033 (3) 0.019 (2) 0.032 (3) 0.0003 (19) 0.003 (2) 0.008 (2)
O14 0.028 (3) 0.043 (3) 0.017 (3) 0.000 (2) −0.004 (2) −0.013 (2)
O15 0.033 (3) 0.035 (3) 0.035 (3) 0.009 (2) 0.005 (2) −0.009 (2)
O16 0.032 (3) 0.039 (3) 0.027 (3) 0.008 (2) −0.008 (2) 0.004 (2)
Pr1 0.02798 (19) 0.02676 (19) 0.0212 (2) 0.00459 (15) −0.00136 (15) 0.00115 (15)
Pr2 0.0321 (2) 0.02562 (19) 0.0257 (2) 0.00574 (16) −0.00071 (16) −0.00028 (16)
S1 0.0262 (8) 0.0230 (8) 0.0251 (9) −0.0015 (6) −0.0049 (7) 0.0015 (7)
S2 0.0244 (8) 0.0251 (8) 0.0284 (10) −0.0082 (7) −0.0040 (7) 0.0006 (7)
S3 0.0207 (8) 0.0279 (8) 0.0233 (9) 0.0053 (6) −0.0046 (6) −0.0015 (7)
S4 0.0202 (7) 0.0227 (8) 0.0218 (8) 0.0017 (6) −0.0002 (6) −0.0022 (6)
S5 0.0287 (9) 0.0208 (8) 0.0327 (10) −0.0032 (7) −0.0028 (7) −0.0023 (7)
S6 0.0219 (8) 0.0212 (7) 0.0180 (8) 0.0010 (6) −0.0008 (6) 0.0028 (6)
S7 0.0173 (8) 0.0297 (9) 0.0334 (10) 0.0008 (6) −0.0076 (7) 0.0049 (7)
S8 0.0236 (8) 0.0350 (9) 0.0273 (10) −0.0140 (7) −0.0017 (7) −0.0016 (7)
S9 0.0266 (8) 0.0192 (7) 0.0203 (8) 0.0062 (6) −0.0021 (6) 0.0006 (6)
S10 0.0344 (9) 0.0290 (9) 0.0280 (10) −0.0033 (7) −0.0056 (8) 0.0063 (7)
S11 0.0310 (9) 0.0228 (8) 0.0217 (9) 0.0033 (7) 0.0042 (7) −0.0074 (7)
S12 0.0174 (8) 0.0342 (9) 0.0297 (10) −0.0041 (7) 0.0018 (7) 0.0030 (7)
S13 0.0213 (8) 0.0292 (9) 0.0339 (10) −0.0074 (7) −0.0033 (7) 0.0076 (8)
S14 0.0226 (8) 0.0272 (8) 0.0153 (8) 0.0022 (6) 0.0037 (6) 0.0017 (6)
S15 0.0209 (8) 0.0320 (9) 0.0366 (11) −0.0013 (7) −0.0033 (7) 0.0024 (8)
S16 0.0253 (8) 0.0223 (8) 0.0193 (8) −0.0040 (6) −0.0031 (6) 0.0006 (6)
S17 0.0351 (9) 0.0212 (8) 0.0212 (9) 0.0100 (7) −0.0031 (7) −0.0023 (7)
S18 0.0228 (8) 0.0234 (8) 0.0219 (9) 0.0035 (6) −0.0010 (6) −0.0073 (7)
S19 0.0213 (8) 0.0186 (7) 0.0263 (9) 0.0015 (6) −0.0050 (6) −0.0018 (6)
S20 0.0270 (8) 0.0195 (8) 0.0344 (10) 0.0094 (6) −0.0046 (7) −0.0027 (7)
S21 0.0223 (8) 0.0189 (7) 0.0220 (9) 0.0054 (6) −0.0054 (6) −0.0059 (6)
S22 0.0211 (8) 0.0324 (9) 0.0230 (9) −0.0001 (7) −0.0045 (7) 0.0024 (7)
S23 0.0349 (9) 0.0207 (8) 0.0272 (9) −0.0025 (7) 0.0124 (7) −0.0014 (7)
S24 0.0251 (8) 0.0219 (8) 0.0221 (9) −0.0071 (6) −0.0052 (7) 0.0035 (6)
S25 0.0266 (8) 0.0284 (8) 0.0216 (9) 0.0002 (7) −0.0084 (7) −0.0047 (7)
S26 0.0179 (7) 0.0302 (9) 0.0291 (10) −0.0012 (6) −0.0018 (7) 0.0068 (7)
S27 0.0206 (7) 0.0274 (8) 0.0200 (8) 0.0033 (6) −0.0009 (6) 0.0006 (7)
S28 0.0274 (8) 0.0203 (8) 0.0211 (9) 0.0011 (6) −0.0011 (7) −0.0036 (6)
S29 0.0236 (8) 0.0195 (8) 0.0262 (9) 0.0071 (6) 0.0034 (7) 0.0077 (7)
S30 0.0213 (7) 0.0225 (8) 0.0192 (8) 0.0022 (6) 0.0027 (6) −0.0013 (6)
S31 0.0210 (8) 0.0233 (8) 0.0232 (9) 0.0071 (6) 0.0015 (6) −0.0030 (7)
S32 0.0344 (9) 0.0199 (8) 0.0255 (9) −0.0028 (7) −0.0063 (7) −0.0032 (7)
S33 0.0214 (8) 0.0184 (7) 0.0262 (9) 0.0016 (6) −0.0050 (7) −0.0019 (6)
S34 0.0201 (7) 0.0189 (7) 0.0142 (8) 0.0026 (6) 0.0001 (6) 0.0006 (6)
S35 0.0214 (8) 0.0188 (7) 0.0257 (9) 0.0019 (6) −0.0050 (6) −0.0020 (7)
S36 0.0289 (9) 0.0324 (9) 0.0312 (10) 0.0002 (7) 0.0071 (8) −0.0019 (8)
S37 0.0173 (7) 0.0369 (9) 0.0215 (9) 0.0016 (7) −0.0041 (6) −0.0051 (7)
S38 0.0360 (9) 0.0276 (9) 0.0190 (9) 0.0155 (7) 0.0066 (7) −0.0004 (7)
S39 0.0285 (9) 0.0338 (9) 0.0291 (10) −0.0009 (7) −0.0083 (7) −0.0068 (8)
S40 0.0185 (8) 0.0364 (9) 0.0190 (9) 0.0101 (7) 0.0043 (6) 0.0034 (7)

Geometric parameters (Å, °)

Ag1—S20 2.4893 (17) C20—S7 1.673 (7)
Ag1—S19 2.5226 (16) C20—H20A 0.9600
Ag1—S21 2.5619 (16) C20—H20B 0.9600
Ag1—S18 2.6341 (17) C20—H20C 0.9600
Ag1—Mo2 2.9433 (6) C21—S1 1.781 (6)
Ag1—Mo1 2.9690 (6) C21—H21A 0.9600
Ag2—S22 2.5072 (17) C21—H21B 0.9600
Ag2—S21 2.5101 (17) C21—H21C 0.9600
Ag2—S23 2.5274 (17) C22—S1 1.867 (7)
Ag2—S24 2.5492 (16) C22—H22A 0.9600
Ag2—Mo2 2.9349 (6) C22—H22B 0.9600
Ag2—Mo3 2.9509 (6) C22—H22C 0.9600
Ag3—S24 2.4901 (17) C23—S3 1.769 (7)
Ag3—S26 2.4921 (17) C23—H23A 0.9600
Ag3—S25 2.5783 (18) C23—H23B 0.9600
Ag3—S27 2.7465 (17) C23—H23C 0.9600
Ag3—Mo3 2.9660 (6) C24—S3 1.813 (7)
Ag3—Mo4 3.0099 (6) C24—H24A 0.9600
Ag4—S29 2.4946 (16) C24—H24B 0.9600
Ag4—S28 2.5151 (16) C24—H24C 0.9600
Ag4—S30 2.5571 (16) C25—S4 1.737 (6)
Ag4—S27 2.6584 (17) C25—H25A 0.9600
Ag4—Mo5 2.9436 (6) C25—H25B 0.9600
Ag4—Mo4 2.9602 (6) C25—H25C 0.9600
Ag5—S30 2.4992 (17) C26—S4 1.767 (8)
Ag5—S32 2.5100 (17) C26—H26A 0.9600
Ag5—S31 2.5404 (16) C26—H26B 0.9600
Ag5—S33 2.5568 (16) C26—H26C 0.9600
Ag5—Mo5 2.9333 (6) C27—S6 1.794 (6)
Ag5—Mo6 2.9457 (6) C27—H27A 0.9600
Ag6—S35i 2.4929 (17) C27—H27B 0.9600
Ag6—S33 2.5085 (18) C27—H27C 0.9600
Ag6—S34 2.5929 (15) C28—S6 1.737 (7)
Ag6—S18i 2.7032 (16) C28—H28A 0.9600
Ag6—Mo6 2.9632 (6) C28—H28B 0.9600
Ag6—Mo1i 2.9915 (6) C28—H28C 0.9600
C1—S16 1.820 (7) C29—S2 1.862 (7)
C1—H1A 0.9600 C29—H29A 0.9600
C1—H1B 0.9600 C29—H29B 0.9600
C1—H1C 0.9600 C29—H29C 0.9600
C2—S16 1.837 (7) C30—S2 1.805 (8)
C2—H2A 0.9600 C30—H30A 0.9600
C2—H2B 0.9600 C30—H30B 0.9600
C2—H2C 0.9600 C30—H30C 0.9600
C3—S10 1.788 (8) C31—S5 1.815 (8)
C3—H3A 0.9600 C31—H31A 0.9600
C3—H3B 0.9600 C31—H31B 0.9600
C3—H3C 0.9600 C31—H31C 0.9600
C4—S10 1.733 (7) C32—S5 1.768 (7)
C4—H4A 0.9600 C32—H32A 0.9600
C4—H4B 0.9600 C32—H32B 0.9600
C4—H4C 0.9600 C32—H32C 0.9600
C5—S9 1.785 (7) Mo1—S17 2.1156 (18)
C5—H5A 0.9600 Mo1—S35 2.1925 (16)
C5—H5B 0.9600 Mo1—S19 2.2256 (18)
C5—H5C 0.9600 Mo1—S18 2.2512 (18)
C6—S9 1.720 (7) Mo1—Ag6ii 2.9915 (6)
C6—H6A 0.9600 Mo2—S36 2.1308 (19)
C6—H6B 0.9600 Mo2—S22 2.1977 (18)
C6—H6C 0.9600 Mo2—S20 2.2070 (18)
C7—S11 1.765 (7) Mo2—S21 2.2572 (17)
C7—H7A 0.9600 Mo3—S37 2.1655 (17)
C7—H7B 0.9600 Mo3—S23 2.1855 (18)
C7—H7C 0.9600 Mo3—S25 2.2004 (18)
C8—S11 1.722 (7) Mo3—S24 2.2480 (17)
C8—H8A 0.9600 Mo4—S38 2.1475 (18)
C8—H8B 0.9600 Mo4—S28 2.2058 (18)
C8—H8C 0.9600 Mo4—S27 2.2172 (17)
C9—S12 1.838 (8) Mo4—S26 2.2183 (17)
C9—H9A 0.9600 Mo5—S39 2.1552 (18)
C9—H9B 0.9600 Mo5—S29 2.1988 (17)
C9—H9C 0.9600 Mo5—S31 2.2061 (18)
C10—S12 1.789 (7) Mo5—S30 2.2693 (17)
C10—H10A 0.9600 Mo6—S40 2.1440 (17)
C10—H10B 0.9600 Mo6—S32 2.2011 (18)
C10—H10C 0.9600 Mo6—S34 2.2098 (17)
C11—S13 1.812 (7) Mo6—S33 2.2611 (17)
C11—H11A 0.9600 O1—S1 1.536 (5)
C11—H11B 0.9600 O1—Pr1 2.411 (5)
C11—H11C 0.9600 O2—S2 1.441 (6)
C12—S13 1.611 (7) O2—Pr1 2.423 (5)
C12—H12A 0.9600 O3—S3 1.540 (5)
C12—H12B 0.9600 O3—Pr1 2.472 (5)
C12—H12C 0.9600 O4—S4 1.558 (5)
C13—S15 1.785 (7) O4—Pr1 2.449 (5)
C13—H13A 0.9600 O5—S5 1.495 (5)
C13—H13B 0.9600 O5—Pr1 2.513 (5)
C13—H13C 0.9600 O6—S6 1.534 (5)
C14—S15 1.689 (7) O6—Pr1 2.486 (5)
C14—H14A 0.9600 O7—S7 1.446 (6)
C14—H14B 0.9600 O7—Pr1 2.521 (5)
C14—H14C 0.9600 O8—S8 1.580 (5)
C15—S14 1.709 (7) O8—Pr1 2.379 (5)
C15—H15A 0.9600 O9—S9 1.527 (5)
C15—H15B 0.9600 O9—Pr2 2.462 (5)
C15—H15C 0.9600 O10—S10 1.461 (6)
C16—S14 1.755 (7) O10—Pr2 2.436 (5)
C16—H16A 0.9600 O11—S11 1.522 (5)
C16—H16B 0.9600 O11—Pr2 2.420 (5)
C16—H16C 0.9600 O12—S12 1.506 (5)
C17—S8 1.780 (8) O12—Pr2 2.551 (5)
C17—H17A 0.9600 O13—S13 1.512 (5)
C17—H17B 0.9600 O13—Pr2 2.458 (5)
C17—H17C 0.9600 O14—S14 1.532 (5)
C18—S8 1.932 (9) O14—Pr2 2.399 (5)
C18—H18A 0.9600 O15—S15 1.449 (6)
C18—H18B 0.9600 O15—Pr2 2.472 (5)
C18—H18C 0.9600 O16—S16 1.476 (5)
C19—S7 1.692 (7) O16—Pr2 2.442 (5)
C19—H19A 0.9600 S18—Ag6ii 2.7032 (16)
C19—H19B 0.9600 S35—Ag6ii 2.4929 (17)
C19—H19C 0.9600
S20—Ag1—S19 120.61 (6) S2—C29—H29C 109.5
S20—Ag1—S21 94.74 (5) H29A—C29—H29C 109.5
S19—Ag1—S21 126.66 (5) H29B—C29—H29C 109.5
S20—Ag1—S18 116.60 (6) S2—C30—H30A 109.5
S19—Ag1—S18 90.53 (5) S2—C30—H30B 109.5
S21—Ag1—S18 108.88 (5) H30A—C30—H30B 109.5
S20—Ag1—Mo2 47.03 (4) S2—C30—H30C 109.5
S19—Ag1—Mo2 146.88 (4) H30A—C30—H30C 109.5
S21—Ag1—Mo2 47.79 (4) H30B—C30—H30C 109.5
S18—Ag1—Mo2 122.58 (4) S5—C31—H31A 109.5
S20—Ag1—Mo1 146.81 (4) S5—C31—H31B 109.5
S19—Ag1—Mo1 46.95 (4) H31A—C31—H31B 109.5
S21—Ag1—Mo1 117.22 (4) S5—C31—H31C 109.5
S18—Ag1—Mo1 46.91 (4) H31A—C31—H31C 109.5
Mo2—Ag1—Mo1 161.995 (19) H31B—C31—H31C 109.5
S22—Ag2—S21 94.72 (5) S5—C32—H32A 109.5
S22—Ag2—S23 128.21 (6) S5—C32—H32B 109.5
S21—Ag2—S23 115.56 (6) H32A—C32—H32B 109.5
S22—Ag2—S24 110.98 (6) S5—C32—H32C 109.5
S21—Ag2—S24 115.23 (5) H32A—C32—H32C 109.5
S23—Ag2—S24 93.50 (5) H32B—C32—H32C 109.5
S22—Ag2—Mo2 46.82 (4) S17—Mo1—S35 107.99 (7)
S21—Ag2—Mo2 48.21 (4) S17—Mo1—S19 108.51 (7)
S23—Ag2—Mo2 145.24 (4) S35—Mo1—S19 107.94 (6)
S24—Ag2—Mo2 120.96 (4) S17—Mo1—S18 109.85 (7)
S22—Ag2—Mo3 131.56 (4) S35—Mo1—S18 112.58 (7)
S21—Ag2—Mo3 132.93 (4) S19—Mo1—S18 109.86 (7)
S23—Ag2—Mo3 46.23 (4) S17—Mo1—Ag1 104.89 (5)
S24—Ag2—Mo3 47.56 (4) S35—Mo1—Ag1 146.79 (5)
Mo2—Ag2—Mo3 168.497 (18) S19—Mo1—Ag1 55.92 (4)
S24—Ag3—S26 141.66 (6) S18—Mo1—Ag1 58.70 (4)
S24—Ag3—S25 93.75 (5) S17—Mo1—Ag6ii 140.18 (5)
S26—Ag3—S25 108.70 (5) S35—Mo1—Ag6ii 54.91 (5)
S24—Ag3—S27 92.18 (5) S19—Mo1—Ag6ii 111.04 (5)
S26—Ag3—S27 89.26 (5) S18—Mo1—Ag6ii 60.12 (4)
S25—Ag3—S27 141.10 (5) Ag1—Mo1—Ag6ii 100.784 (18)
S24—Ag3—Mo3 47.68 (4) S36—Mo2—S22 107.70 (7)
S26—Ag3—Mo3 142.00 (4) S36—Mo2—S20 107.85 (7)
S25—Ag3—Mo3 46.11 (4) S22—Mo2—S20 108.22 (7)
S27—Ag3—Mo3 128.52 (4) S36—Mo2—S21 108.27 (7)
S24—Ag3—Mo4 132.81 (4) S22—Mo2—S21 111.88 (7)
S26—Ag3—Mo4 46.38 (4) S20—Mo2—S21 112.73 (6)
S25—Ag3—Mo4 131.03 (4) S36—Mo2—Ag2 129.44 (6)
S27—Ag3—Mo4 45.02 (4) S22—Mo2—Ag2 56.30 (5)
Mo3—Ag3—Mo4 169.415 (18) S20—Mo2—Ag2 122.65 (5)
S29—Ag4—S28 123.51 (6) S21—Mo2—Ag2 56.00 (4)
S29—Ag4—S30 94.87 (5) S36—Mo2—Ag1 121.01 (6)
S28—Ag4—S30 125.49 (5) S22—Mo2—Ag1 131.19 (5)
S29—Ag4—S27 116.20 (5) S20—Mo2—Ag1 55.61 (5)
S28—Ag4—S27 89.13 (5) S21—Mo2—Ag1 57.22 (4)
S30—Ag4—S27 108.32 (5) Ag2—Mo2—Ag1 91.783 (17)
S29—Ag4—Mo5 46.80 (4) S37—Mo3—S23 107.12 (7)
S28—Ag4—Mo5 148.13 (4) S37—Mo3—S25 107.32 (7)
S30—Ag4—Mo5 48.10 (4) S23—Mo3—S25 109.73 (7)
S27—Ag4—Mo5 122.72 (4) S37—Mo3—S24 106.76 (7)
S29—Ag4—Mo4 148.46 (4) S23—Mo3—S24 113.03 (7)
S28—Ag4—Mo4 46.64 (4) S25—Mo3—S24 112.54 (7)
S30—Ag4—Mo4 114.79 (4) S37—Mo3—Ag2 127.82 (5)
S27—Ag4—Mo4 46.10 (4) S23—Mo3—Ag2 56.62 (5)
Mo5—Ag4—Mo4 159.892 (19) S25—Mo3—Ag2 124.84 (5)
S30—Ag5—S32 115.41 (6) S24—Mo3—Ag2 56.81 (5)
S30—Ag5—S31 95.10 (5) S37—Mo3—Ag3 124.32 (5)
S32—Ag5—S31 127.52 (6) S23—Mo3—Ag3 128.57 (5)
S30—Ag5—S33 115.80 (5) S25—Mo3—Ag3 57.62 (5)
S32—Ag5—S33 94.37 (5) S24—Mo3—Ag3 54.99 (4)
S31—Ag5—S33 110.02 (5) Ag2—Mo3—Ag3 88.511 (17)
S30—Ag5—Mo5 48.58 (4) S38—Mo4—S28 108.27 (7)
S32—Ag5—Mo5 144.96 (4) S38—Mo4—S27 108.51 (7)
S31—Ag5—Mo5 46.86 (4) S28—Mo4—S27 110.40 (7)
S33—Ag5—Mo5 120.50 (4) S38—Mo4—S26 108.45 (7)
S30—Ag5—Mo6 133.54 (4) S28—Mo4—S26 108.77 (7)
S32—Ag5—Mo6 46.75 (4) S27—Mo4—S26 112.34 (7)
S31—Ag5—Mo6 130.61 (4) S38—Mo4—Ag4 102.24 (5)
S33—Ag5—Mo6 47.88 (4) S28—Mo4—Ag4 56.00 (4)
Mo5—Ag5—Mo6 168.289 (18) S27—Mo4—Ag4 59.76 (5)
S35i—Ag6—S33 142.30 (5) S26—Mo4—Ag4 149.03 (5)
S35i—Ag6—S34 106.34 (5) S38—Mo4—Ag3 141.42 (5)
S33—Ag6—S34 94.19 (5) S28—Mo4—Ag3 110.08 (5)
S35i—Ag6—S18i 90.61 (5) S27—Mo4—Ag3 61.19 (5)
S33—Ag6—S18i 93.05 (5) S26—Mo4—Ag3 54.42 (5)
S34—Ag6—S18i 140.62 (5) Ag4—Mo4—Ag3 102.397 (17)
S35i—Ag6—Mo6 140.68 (4) S39—Mo5—S29 108.20 (7)
S33—Ag6—Mo6 47.93 (4) S39—Mo5—S31 107.24 (7)
S34—Ag6—Mo6 46.28 (4) S29—Mo5—S31 107.97 (7)
S18i—Ag6—Mo6 128.66 (4) S39—Mo5—S30 108.09 (7)
S35i—Ag6—Mo1i 46.02 (4) S29—Mo5—S30 112.76 (6)
S33—Ag6—Mo1i 134.10 (4) S31—Mo5—S30 112.37 (6)
S34—Ag6—Mo1i 129.93 (4) S39—Mo5—Ag5 129.35 (6)
S18i—Ag6—Mo1i 46.23 (4) S29—Mo5—Ag5 122.40 (5)
Mo6—Ag6—Mo1i 170.066 (18) S31—Mo5—Ag5 57.17 (4)
S16—C1—H1A 109.5 S30—Mo5—Ag5 55.67 (4)
S16—C1—H1B 109.5 S39—Mo5—Ag4 122.40 (6)
H1A—C1—H1B 109.5 S29—Mo5—Ag4 55.80 (4)
S16—C1—H1C 109.5 S31—Mo5—Ag4 130.26 (5)
H1A—C1—H1C 109.5 S30—Mo5—Ag4 57.00 (4)
H1B—C1—H1C 109.5 Ag5—Mo5—Ag4 90.310 (16)
S16—C2—H2A 109.5 S40—Mo6—S32 107.85 (7)
S16—C2—H2B 109.5 S40—Mo6—S34 106.73 (6)
H2A—C2—H2B 109.5 S32—Mo6—S34 109.00 (7)
S16—C2—H2C 109.5 S40—Mo6—S33 106.70 (7)
H2A—C2—H2C 109.5 S32—Mo6—S33 112.80 (7)
H2B—C2—H2C 109.5 S34—Mo6—S33 113.42 (6)
S10—C3—H3A 109.5 S40—Mo6—Ag5 128.13 (5)
S10—C3—H3B 109.5 S32—Mo6—Ag5 56.16 (5)
H3A—C3—H3B 109.5 S34—Mo6—Ag5 125.10 (5)
S10—C3—H3C 109.5 S33—Mo6—Ag5 57.01 (4)
H3A—C3—H3C 109.5 S40—Mo6—Ag6 123.01 (5)
H3B—C3—H3C 109.5 S32—Mo6—Ag6 129.13 (5)
S10—C4—H4A 109.5 S34—Mo6—Ag6 57.99 (4)
S10—C4—H4B 109.5 S33—Mo6—Ag6 55.45 (5)
H4A—C4—H4B 109.5 Ag5—Mo6—Ag6 89.684 (16)
S10—C4—H4C 109.5 S1—O1—Pr1 133.9 (3)
H4A—C4—H4C 109.5 S2—O2—Pr1 138.2 (3)
H4B—C4—H4C 109.5 S3—O3—Pr1 127.9 (3)
S9—C5—H5A 109.5 S4—O4—Pr1 128.1 (3)
S9—C5—H5B 109.5 S5—O5—Pr1 124.1 (3)
H5A—C5—H5B 109.5 S6—O6—Pr1 126.6 (3)
S9—C5—H5C 109.5 S7—O7—Pr1 132.9 (3)
H5A—C5—H5C 109.5 S8—O8—Pr1 114.5 (3)
H5B—C5—H5C 109.5 S9—O9—Pr2 138.3 (3)
S9—C6—H6A 109.5 S10—O10—Pr2 125.7 (3)
S9—C6—H6B 109.5 S11—O11—Pr2 137.1 (3)
H6A—C6—H6B 109.5 S12—O12—Pr2 132.2 (3)
S9—C6—H6C 109.5 S13—O13—Pr2 130.7 (3)
H6A—C6—H6C 109.5 S14—O14—Pr2 130.4 (3)
H6B—C6—H6C 109.5 S15—O15—Pr2 134.5 (3)
S11—C7—H7A 109.5 S16—O16—Pr2 134.3 (3)
S11—C7—H7B 109.5 O8—Pr1—O1 81.92 (17)
H7A—C7—H7B 109.5 O8—Pr1—O2 72.56 (19)
S11—C7—H7C 109.5 O1—Pr1—O2 78.30 (16)
H7A—C7—H7C 109.5 O8—Pr1—O4 121.32 (17)
H7B—C7—H7C 109.5 O1—Pr1—O4 142.40 (17)
S11—C8—H8A 109.5 O2—Pr1—O4 81.43 (18)
S11—C8—H8B 109.5 O8—Pr1—O3 146.88 (17)
H8A—C8—H8B 109.5 O1—Pr1—O3 74.52 (17)
S11—C8—H8C 109.5 O2—Pr1—O3 80.02 (17)
H8A—C8—H8C 109.5 O4—Pr1—O3 70.98 (16)
H8B—C8—H8C 109.5 O8—Pr1—O6 71.49 (18)
S12—C9—H9A 109.5 O1—Pr1—O6 147.39 (17)
S12—C9—H9B 109.5 O2—Pr1—O6 110.03 (17)
H9A—C9—H9B 109.5 O4—Pr1—O6 69.76 (16)
S12—C9—H9C 109.5 O3—Pr1—O6 137.17 (16)
H9A—C9—H9C 109.5 O8—Pr1—O5 138.89 (18)
H9B—C9—H9C 109.5 O1—Pr1—O5 110.22 (17)
S12—C10—H10A 109.5 O2—Pr1—O5 147.11 (18)
S12—C10—H10B 109.5 O4—Pr1—O5 72.98 (18)
H10A—C10—H10B 109.5 O3—Pr1—O5 72.42 (17)
S12—C10—H10C 109.5 O6—Pr1—O5 80.34 (17)
H10A—C10—H10C 109.5 O8—Pr1—O7 72.15 (18)
H10B—C10—H10C 109.5 O1—Pr1—O7 76.09 (15)
S13—C11—H11A 109.5 O2—Pr1—O7 138.67 (18)
S13—C11—H11B 109.5 O4—Pr1—O7 136.26 (17)
H11A—C11—H11B 109.5 O3—Pr1—O7 122.48 (15)
S13—C11—H11C 109.5 O6—Pr1—O7 77.98 (14)
H11A—C11—H11C 109.5 O5—Pr1—O7 73.15 (18)
H11B—C11—H11C 109.5 O14—Pr2—O11 146.54 (17)
S13—C12—H12A 109.5 O14—Pr2—O10 120.58 (17)
S13—C12—H12B 109.5 O11—Pr2—O10 78.64 (17)
H12A—C12—H12B 109.5 O14—Pr2—O16 70.99 (17)
S13—C12—H12C 109.5 O11—Pr2—O16 142.44 (17)
H12A—C12—H12C 109.5 O10—Pr2—O16 78.48 (19)
H12B—C12—H12C 109.5 O14—Pr2—O13 73.84 (17)
S15—C13—H13A 109.5 O11—Pr2—O13 73.25 (17)
S15—C13—H13B 109.5 O10—Pr2—O13 131.73 (18)
H13A—C13—H13B 109.5 O16—Pr2—O13 142.69 (17)
S15—C13—H13C 109.5 O14—Pr2—O9 136.28 (18)
H13A—C13—H13C 109.5 O11—Pr2—O9 73.54 (19)
H13B—C13—H13C 109.5 O10—Pr2—O9 71.19 (17)
S15—C14—H14A 109.5 O16—Pr2—O9 71.07 (18)
S15—C14—H14B 109.5 O13—Pr2—O9 132.93 (17)
H14A—C14—H14B 109.5 O14—Pr2—O15 73.77 (16)
S15—C14—H14C 109.5 O11—Pr2—O15 102.65 (17)
H14A—C14—H14C 109.5 O10—Pr2—O15 151.40 (18)
H14B—C14—H14C 109.5 O16—Pr2—O15 84.38 (18)
S14—C15—H15A 109.5 O13—Pr2—O15 74.16 (18)
S14—C15—H15B 109.5 O9—Pr2—O15 81.69 (18)
H15A—C15—H15B 109.5 O14—Pr2—O12 78.50 (16)
S14—C15—H15C 109.5 O11—Pr2—O12 86.49 (17)
H15A—C15—H15C 109.5 O10—Pr2—O12 66.42 (17)
H15B—C15—H15C 109.5 O16—Pr2—O12 110.71 (17)
S14—C16—H16A 109.5 O13—Pr2—O12 73.36 (17)
S14—C16—H16B 109.5 O9—Pr2—O12 135.87 (17)
H16A—C16—H16B 109.5 O15—Pr2—O12 141.90 (17)
S14—C16—H16C 109.5 O1—S1—C21 109.4 (2)
H16A—C16—H16C 109.5 O1—S1—C22 104.3 (2)
H16B—C16—H16C 109.5 C21—S1—C22 100.7 (3)
S8—C17—H17A 109.5 O2—S2—C30 103.6 (3)
S8—C17—H17B 109.5 O2—S2—C29 110.9 (3)
H17A—C17—H17B 109.5 C30—S2—C29 95.5 (3)
S8—C17—H17C 109.5 O3—S3—C23 101.1 (3)
H17A—C17—H17C 109.5 O3—S3—C24 99.1 (3)
H17B—C17—H17C 109.5 C23—S3—C24 101.0 (4)
S8—C18—H18A 109.5 O4—S4—C25 106.0 (2)
S8—C18—H18B 109.5 O4—S4—C26 103.2 (3)
H18A—C18—H18B 109.5 C25—S4—C26 97.7 (4)
S8—C18—H18C 109.5 O5—S5—C32 105.9 (3)
H18A—C18—H18C 109.5 O5—S5—C31 101.7 (2)
H18B—C18—H18C 109.5 C32—S5—C31 94.2 (4)
S7—C19—H19A 109.5 O6—S6—C28 104.2 (3)
S7—C19—H19B 109.5 O6—S6—C27 101.7 (2)
H19A—C19—H19B 109.5 C28—S6—C27 100.2 (4)
S7—C19—H19C 109.5 O7—S7—C20 105.3 (3)
H19A—C19—H19C 109.5 O7—S7—C19 107.1 (4)
H19B—C19—H19C 109.5 C20—S7—C19 98.4 (5)
S7—C20—H20A 109.5 O8—S8—C17 104.8 (2)
S7—C20—H20B 109.5 O8—S8—C18 103.2 (3)
H20A—C20—H20B 109.5 C17—S8—C18 94.2 (4)
S7—C20—H20C 109.5 O9—S9—C6 105.0 (2)
H20A—C20—H20C 109.5 O9—S9—C5 101.8 (3)
H20B—C20—H20C 109.5 C6—S9—C5 96.3 (4)
S1—C21—H21A 109.5 O10—S10—C4 101.4 (3)
S1—C21—H21B 109.5 O10—S10—C3 105.3 (3)
H21A—C21—H21B 109.5 C4—S10—C3 99.8 (4)
S1—C21—H21C 109.5 O11—S11—C8 104.2 (3)
H21A—C21—H21C 109.5 O11—S11—C7 105.8 (3)
H21B—C21—H21C 109.5 C8—S11—C7 93.7 (3)
S1—C22—H22A 109.5 O12—S12—C10 106.2 (3)
S1—C22—H22B 109.5 O12—S12—C9 97.6 (3)
H22A—C22—H22B 109.5 C10—S12—C9 95.6 (4)
S1—C22—H22C 109.5 O13—S13—C12 108.6 (3)
H22A—C22—H22C 109.5 O13—S13—C11 105.7 (3)
H22B—C22—H22C 109.5 C12—S13—C11 101.8 (4)
S3—C23—H23A 109.5 O14—S14—C15 106.1 (3)
S3—C23—H23B 109.5 O14—S14—C16 107.3 (3)
H23A—C23—H23B 109.5 C15—S14—C16 97.8 (4)
S3—C23—H23C 109.5 O15—S15—C14 107.7 (3)
H23A—C23—H23C 109.5 O15—S15—C13 99.9 (3)
H23B—C23—H23C 109.5 C14—S15—C13 99.0 (3)
S3—C24—H24A 109.5 O16—S16—C1 103.9 (2)
S3—C24—H24B 109.5 O16—S16—C2 106.1 (2)
H24A—C24—H24B 109.5 C1—S16—C2 98.6 (4)
S3—C24—H24C 109.5 Mo1—S18—Ag1 74.39 (5)
H24A—C24—H24C 109.5 Mo1—S18—Ag6ii 73.65 (5)
H24B—C24—H24C 109.5 Ag1—S18—Ag6ii 118.71 (6)
S4—C25—H25A 109.5 Mo1—S19—Ag1 77.13 (5)
S4—C25—H25B 109.5 Mo2—S20—Ag1 77.36 (5)
H25A—C25—H25B 109.5 Mo2—S21—Ag2 75.79 (5)
S4—C25—H25C 109.5 Mo2—S21—Ag1 74.99 (5)
H25A—C25—H25C 109.5 Ag2—S21—Ag1 112.64 (6)
H25B—C25—H25C 109.5 Mo2—S22—Ag2 76.88 (5)
S4—C26—H26A 109.5 Mo3—S23—Ag2 77.15 (5)
S4—C26—H26B 109.5 Mo3—S24—Ag3 77.32 (5)
H26A—C26—H26B 109.5 Mo3—S24—Ag2 75.63 (5)
S4—C26—H26C 109.5 Ag3—S24—Ag2 110.04 (6)
H26A—C26—H26C 109.5 Mo3—S25—Ag3 76.27 (5)
H26B—C26—H26C 109.5 Mo4—S26—Ag3 79.20 (5)
S6—C27—H27A 109.5 Mo4—S27—Ag4 74.15 (5)
S6—C27—H27B 109.5 Mo4—S27—Ag3 73.79 (5)
H27A—C27—H27B 109.5 Ag4—S27—Ag3 118.81 (6)
S6—C27—H27C 109.5 Mo4—S28—Ag4 77.36 (5)
H27A—C27—H27C 109.5 Mo5—S29—Ag4 77.40 (5)
H27B—C27—H27C 109.5 Mo5—S30—Ag5 75.75 (5)
S6—C28—H28A 109.5 Mo5—S30—Ag4 74.90 (5)
S6—C28—H28B 109.5 Ag5—S30—Ag4 110.99 (6)
H28A—C28—H28B 109.5 Mo5—S31—Ag5 75.98 (5)
S6—C28—H28C 109.5 Mo6—S32—Ag5 77.10 (5)
H28A—C28—H28C 109.5 Mo6—S33—Ag6 76.62 (5)
H28B—C28—H28C 109.5 Mo6—S33—Ag5 75.10 (5)
S2—C29—H29A 109.5 Ag6—S33—Ag5 110.69 (6)
S2—C29—H29B 109.5 Mo6—S34—Ag6 75.73 (5)
H29A—C29—H29B 109.5 Mo1—S35—Ag6ii 79.07 (5)

Symmetry codes: (i) x, y, z+1; (ii) x, y, z−1.

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: PV2090).

References

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Associated Data

This section collects any data citations, data availability statements, or supplementary materials included in this article.

Supplementary Materials

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808023696/pv2090sup1.cif

e-64-m1100-sup1.cif (50.6KB, cif)

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808023696/pv2090Isup2.hkl

e-64-m1100-Isup2.hkl (1,000.5KB, hkl)

Additional supplementary materials: crystallographic information; 3D view; checkCIF report


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