Poly[tetra­aqua­bis­(μ3-benzene-1,3-di­carboxyl­ato-κ3 O:O′:O′′)bis­(μ2-benzene-1,3-dicarboxyl­ato-κ3 O,O′:O′′)[μ2-1,4-bis­(1,2,4-triazol-1-yl)butane-κ2 N:N′]tetra­zinc(II)]

Gui-Hong Fu

doi:10.1107/S1600536810051433

. 2010 Dec 15;67(Pt 1):m73. doi: 10.1107/S1600536810051433

Poly[tetraaquabis(μ₃-benzene-1,3-dicarboxylato-κ³ O:O′:O′′)bis(μ₂-benzene-1,3-dicarboxylato-κ³ O,O′:O′′)[μ₂-1,4-bis(1,2,4-triazol-1-yl)butane-κ² N:N′]tetrazinc(II)]

Gui-Hong Fu ^a,^*

PMCID: PMC3050338 PMID: 21522591

Abstract

In the crystal structure of the title compound, [Zn₄(C₈H₄O₄)₄(C₈H₁₂N₆)(H₂O)₄]_n, one Zn^II atom is four-coordinated in a slightly distorted tetrahedral geometry by two O atoms from benzene-1,3-dicarboxylate (BDC) ligands, one N atom from a 1,4-bis(1,2,4-triazol-1-yl)butane (BTB) ligand and one water molecule, while a second Zn^II atom is five-coordinated in a distorted square-pyramidal geometry bridged by four O atoms from BDC ligands and one water molecule. The Zn^II atoms are connected by the benzene-1,3-dicarboxylate anions and the nitrogen ligand into layers parallel to the ac plane. The asymmetric unit consits of two crystallographically independent Zn^II cations, two BDC anions and two water molecules in general positions, as well as one-half of the BTB ligand that is completed by inversion symmetry.

Related literature

For related structures, see: Liu et al. (2009 ▶); Wang et al. (2009 ▶).

Experimental

Crystal data

[Zn₄(C₈H₄O₄)₄(C₈H₁₂N₆)(H₂O)₄]
M _r = 1182.23
Monoclinic,
a = 10.064 (2) Å
b = 21.147 (4) Å
c = 10.237 (2) Å
β = 91.76 (3)°
V = 2177.7 (7) Å³
Z = 2
Mo Kα radiation
μ = 2.27 mm⁻¹
T = 293 K
0.26 × 0.24 × 0.23 mm

Data collection

Bruker APEX CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T _min = 0.902, T _max = 0.918
16853 measured reflections
3819 independent reflections
3381 reflections with I > 2σ(I)
R _int = 0.032

Refinement

R[F ² > 2σ(F ²)] = 0.024
wR(F ²) = 0.058
S = 1.04
3819 reflections
316 parameters
H-atom parameters constrained
Δρ_max = 0.30 e Å⁻³
Δρ_min = −0.25 e Å⁻³

Data collection: SMART (Bruker, 2007) ▶; cell refinement: SAINT (Bruker, 2007) ▶; data reduction: SAINT ▶; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL-Plus (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXL97.

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810051433/nc2208sup1.cif

e-67-00m73-sup1.cif^{(20.4KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810051433/nc2208Isup2.hkl

e-67-00m73-Isup2.hkl^{(187.2KB, hkl)}

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

Acknowledgments

This work was supported financially by the National Natural Science Foundation of China (No. 20701006).

supplementary crystallographic information

Comment

Investigations on metal carboxylate coordination polymers have become of increasing interest in the past few years. As a part of our ongoing investigations in this field (Liu et al. 2009; Wang et al. 2009), we report here the crystal structure of the title compound. Zn1 ion is surrounded by two oxygen atoms from BDC ligands, one nitrogen atom from BTB ligand and one aqua ligand. Zn2 atom is coordinated to four oxygen atoms from BDC ligands and one aqua ligand (Fig 1). The zinc atoms are linked by the anions into layers parallel to the crystallographic ac plane.

Experimental

The hydrothermal reaction of ZnCl₂ (0.041 g, 0.3 mmol), 1,4-Bis(1,2,4-triazol-1-yl)butane (btb) (0.078 g, 0.4 mmol) and water (15.0 ml) was carried out at 423 K for 3 d. After cooling to room temperature at a rate of 5 K h^-1, block-shaped colorless crystals of the title compound suitable for X-ray analysis were obtained.

Figures

Fig. 1. — Crystal structure of the title compound with labeling and displacement ellipsoids drawn at the 50% probability level. Symmetry code: i = x,y,z - 1, ii = x - 1, y, z, iii = -x + 1, - y, - z

Crystal data

[Zn₄(C₈H₄O₄)₄(C₈H₁₂N₆)(H₂O)₄]	F(000) = 1196
M_r = 1182.23	D_x = 1.803 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 16853 reflections
a = 10.064 (2) Å	θ = 3.0–25.0°
b = 21.147 (4) Å	µ = 2.27 mm⁻¹
c = 10.237 (2) Å	T = 293 K
β = 91.76 (3)°	Block, colourless
V = 2177.7 (7) Å³	0.26 × 0.24 × 0.23 mm
Z = 2

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Data collection

Bruker APEX CCD area-detector diffractometer	3819 independent reflections
Radiation source: fine-focus sealed tube	3381 reflections with I > 2σ(I)
graphite	R_int = 0.032
ω scans	θ_max = 25.0°, θ_min = 3.0°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −11→11
T_min = 0.902, T_max = 0.918	k = −25→25
16853 measured reflections	l = −12→11

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Refinement

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.024	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.058	H-atom parameters constrained
S = 1.04	w = 1/[σ²(F_o²) + (0.0273P)² + 1.178P] where P = (F_o² + 2F_c²)/3
3819 reflections	(Δ/σ)_max < 0.001
316 parameters	Δρ_max = 0.30 e Å⁻³
0 restraints	Δρ_min = −0.25 e Å⁻³

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Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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.

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

	x	y	z	U_iso*/U_eq
Zn1	−0.06578 (2)	0.089944 (12)	−0.04961 (2)	0.02203 (8)
Zn2	0.01752 (2)	0.195761 (12)	0.28205 (2)	0.02292 (8)
C1	0.4953 (2)	0.19260 (10)	0.3569 (2)	0.0232 (5)
H1A	0.4831	0.1917	0.2665	0.028*
C2	0.3852 (2)	0.19388 (11)	0.4356 (2)	0.0253 (5)
C3	0.4046 (2)	0.19304 (12)	0.5709 (2)	0.0311 (5)
H3A	0.3318	0.1943	0.6246	0.037*
C4	0.5317 (2)	0.19028 (12)	0.6257 (2)	0.0341 (6)
H4A	0.5437	0.1876	0.7159	0.041*
C5	0.6411 (2)	0.19145 (11)	0.5471 (2)	0.0282 (5)
H5A	0.7265	0.1914	0.5846	0.034*
C6	0.6230 (2)	0.19265 (10)	0.4115 (2)	0.0220 (4)
C7	0.7386 (2)	0.19342 (10)	0.3224 (2)	0.0241 (5)
C8	0.2511 (2)	0.19557 (11)	0.3714 (2)	0.0277 (5)
C9	−0.1669 (2)	0.04379 (11)	0.5724 (2)	0.0256 (5)
C10	−0.2664 (3)	−0.00116 (13)	0.5638 (2)	0.0438 (7)
H10A	−0.3042	−0.0163	0.6394	0.053*
C11	−0.3100 (3)	−0.02387 (15)	0.4430 (2)	0.0545 (9)
H11A	−0.3782	−0.0535	0.4374	0.065*
C12	−0.2519 (3)	−0.00223 (13)	0.3307 (2)	0.0418 (7)
H12A	−0.2816	−0.0174	0.2496	0.050*
C13	−0.1500 (2)	0.04180 (10)	0.3378 (2)	0.0236 (5)
C14	−0.1084 (2)	0.06503 (10)	0.4595 (2)	0.0229 (5)
H14A	−0.0408	0.0950	0.4652	0.027*
C15	−0.1227 (2)	0.07043 (11)	0.7024 (2)	0.0245 (5)
C16	−0.0893 (2)	0.06554 (10)	0.21533 (19)	0.0210 (5)
C17	0.2212 (2)	0.08641 (11)	0.0369 (2)	0.0271 (5)
H17A	0.2034	0.0636	0.1120	0.032*
C18	0.2031 (3)	0.13749 (13)	−0.1382 (2)	0.0386 (6)
H18A	0.1651	0.1576	−0.2110	0.046*
C19	0.4709 (3)	0.08703 (13)	0.0581 (3)	0.0397 (6)
H19A	0.4611	0.0771	0.1498	0.048*
H19B	0.5284	0.1237	0.0527	0.048*
C20	0.5359 (2)	0.03118 (12)	−0.0093 (3)	0.0378 (6)
H20A	0.5394	0.0400	−0.1021	0.045*
H20B	0.6266	0.0270	0.0244	0.045*
N1	0.13007 (18)	0.10764 (9)	−0.04798 (17)	0.0252 (4)
N2	0.34087 (19)	0.10224 (9)	−0.00052 (18)	0.0295 (4)
N3	0.3313 (2)	0.13562 (11)	−0.1145 (2)	0.0420 (5)
O1	0.84932 (14)	0.21495 (8)	0.37012 (15)	0.0288 (4)
O2	0.72171 (16)	0.17320 (9)	0.20969 (15)	0.0329 (4)
O3	0.23743 (16)	0.18834 (9)	0.25146 (16)	0.0396 (4)
O4	0.14763 (15)	0.20414 (9)	0.43934 (16)	0.0367 (4)
O5	−0.00281 (15)	0.10856 (7)	0.22114 (14)	0.0259 (3)
O6	−0.12568 (16)	0.04097 (7)	0.10727 (13)	0.0279 (4)
O7	−0.14620 (17)	0.03846 (8)	0.80488 (13)	0.0305 (4)
O8	−0.06492 (18)	0.12246 (8)	0.70924 (14)	0.0354 (4)
O9	0.00911 (17)	0.26150 (8)	0.14493 (15)	0.0359 (4)
H1	0.0695	0.2706	0.0918	0.054*
H2	−0.0157	0.2994	0.1567	0.054*
O10	−0.18152 (16)	0.16534 (8)	−0.02552 (14)	0.0314 (4)
H3	−0.2116	0.1731	0.0495	0.047*
H4	−0.1626	0.2010	−0.0583	0.047*

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Atomic displacement parameters (Å²)

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Zn1	0.02386 (14)	0.02685 (15)	0.01542 (13)	−0.00144 (10)	0.00116 (10)	−0.00010 (10)
Zn2	0.01664 (13)	0.02776 (15)	0.02441 (14)	−0.00191 (10)	0.00121 (10)	−0.00385 (10)
C1	0.0200 (11)	0.0293 (12)	0.0204 (10)	−0.0010 (9)	0.0015 (9)	−0.0030 (9)
C2	0.0177 (11)	0.0307 (12)	0.0276 (11)	−0.0024 (9)	0.0035 (9)	−0.0052 (9)
C3	0.0219 (12)	0.0462 (15)	0.0256 (11)	−0.0014 (10)	0.0082 (10)	−0.0025 (10)
C4	0.0321 (14)	0.0491 (16)	0.0214 (11)	−0.0018 (11)	0.0032 (10)	−0.0020 (11)
C5	0.0206 (11)	0.0378 (14)	0.0257 (11)	−0.0010 (10)	−0.0043 (9)	0.0002 (10)
C6	0.0162 (11)	0.0255 (11)	0.0242 (10)	0.0007 (9)	0.0011 (9)	−0.0022 (9)
C7	0.0172 (11)	0.0265 (12)	0.0287 (12)	0.0028 (9)	0.0043 (9)	0.0008 (9)
C8	0.0216 (12)	0.0290 (12)	0.0326 (12)	−0.0034 (9)	0.0037 (10)	−0.0055 (10)
C9	0.0348 (13)	0.0252 (12)	0.0169 (10)	0.0013 (10)	0.0008 (9)	0.0025 (9)
C10	0.0604 (18)	0.0481 (17)	0.0232 (12)	−0.0226 (14)	0.0063 (12)	0.0051 (11)
C11	0.073 (2)	0.061 (2)	0.0303 (14)	−0.0432 (17)	0.0038 (14)	0.0007 (13)
C12	0.0608 (19)	0.0440 (16)	0.0202 (11)	−0.0227 (14)	−0.0031 (12)	−0.0022 (11)
C13	0.0300 (12)	0.0230 (11)	0.0177 (10)	−0.0008 (9)	−0.0003 (9)	0.0008 (8)
C14	0.0271 (12)	0.0202 (11)	0.0212 (10)	−0.0001 (9)	−0.0013 (9)	0.0016 (8)
C15	0.0263 (12)	0.0285 (12)	0.0186 (10)	0.0045 (10)	0.0011 (9)	0.0022 (9)
C16	0.0233 (11)	0.0222 (11)	0.0175 (10)	0.0037 (9)	0.0000 (9)	−0.0008 (8)
C17	0.0276 (12)	0.0309 (13)	0.0229 (11)	0.0015 (10)	0.0036 (10)	−0.0008 (9)
C18	0.0321 (14)	0.0472 (16)	0.0366 (13)	0.0027 (12)	0.0046 (11)	0.0172 (12)
C19	0.0266 (13)	0.0482 (16)	0.0438 (14)	−0.0005 (11)	−0.0074 (11)	−0.0100 (12)
C20	0.0206 (12)	0.0478 (16)	0.0448 (14)	0.0052 (11)	−0.0017 (11)	−0.0019 (12)
N1	0.0263 (10)	0.0276 (10)	0.0219 (9)	0.0026 (8)	0.0041 (8)	0.0005 (8)
N2	0.0267 (11)	0.0316 (11)	0.0303 (10)	0.0020 (8)	0.0010 (8)	−0.0033 (8)
N3	0.0323 (12)	0.0508 (14)	0.0431 (12)	−0.0025 (10)	0.0059 (10)	0.0154 (11)
O1	0.0162 (8)	0.0346 (9)	0.0360 (9)	−0.0024 (7)	0.0061 (7)	−0.0108 (7)
O2	0.0227 (8)	0.0531 (11)	0.0230 (8)	0.0011 (8)	0.0035 (7)	−0.0060 (7)
O3	0.0217 (9)	0.0667 (13)	0.0304 (9)	−0.0031 (8)	−0.0020 (7)	−0.0066 (8)
O4	0.0152 (8)	0.0603 (12)	0.0349 (9)	−0.0010 (8)	0.0037 (7)	−0.0107 (8)
O5	0.0269 (8)	0.0254 (8)	0.0258 (8)	−0.0033 (7)	0.0059 (7)	−0.0051 (6)
O6	0.0372 (9)	0.0319 (9)	0.0144 (7)	−0.0065 (7)	−0.0014 (6)	−0.0011 (6)
O7	0.0453 (10)	0.0317 (9)	0.0146 (7)	−0.0039 (8)	0.0007 (7)	0.0019 (6)
O8	0.0494 (11)	0.0335 (10)	0.0229 (8)	−0.0128 (8)	−0.0026 (7)	−0.0005 (7)
O9	0.0403 (10)	0.0334 (9)	0.0349 (9)	0.0056 (8)	0.0141 (8)	0.0049 (7)
O10	0.0408 (10)	0.0304 (9)	0.0236 (8)	0.0054 (7)	0.0105 (7)	0.0024 (7)

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Geometric parameters (Å, °)

Zn1—O10	1.9943 (16)	C11—C12	1.384 (3)
Zn1—O7ⁱ	1.9963 (16)	C11—H11A	0.9300
Zn1—N1	2.0058 (19)	C12—C13	1.385 (3)
Zn1—O6	2.0185 (15)	C12—H12A	0.9300
Zn2—O5	1.9553 (16)	C13—C14	1.392 (3)
Zn2—O9	1.9757 (16)	C13—C16	1.498 (3)
Zn2—O1ⁱⁱ	1.9840 (15)	C14—H14A	0.9300
Zn2—O4	2.0517 (18)	C15—O8	1.245 (3)
Zn2—O3	2.2503 (17)	C15—O7	1.277 (3)
Zn2—C8	2.496 (2)	C16—O5	1.260 (3)
C1—C6	1.386 (3)	C16—O6	1.266 (2)
C1—C2	1.390 (3)	C17—N2	1.318 (3)
C1—H1A	0.9300	C17—N1	1.322 (3)
C2—C3	1.393 (3)	C17—H17A	0.9300
C2—C8	1.484 (3)	C18—N3	1.306 (3)
C3—C4	1.382 (3)	C18—N1	1.354 (3)
C3—H3A	0.9300	C18—H18A	0.9300
C4—C5	1.384 (3)	C19—N2	1.459 (3)
C4—H4A	0.9300	C19—C20	1.526 (3)
C5—C6	1.395 (3)	C19—H19A	0.9700
C5—H5A	0.9300	C19—H19B	0.9700
C6—C7	1.500 (3)	C20—C20ⁱⁱⁱ	1.519 (5)
C7—O2	1.238 (3)	C20—H20A	0.9700
C7—O1	1.286 (3)	C20—H20B	0.9700
C8—O3	1.241 (3)	N2—N3	1.365 (3)
C8—O4	1.282 (3)	O1—Zn2^iv	1.9840 (15)
C9—C10	1.381 (3)	O7—Zn1^v	1.9963 (16)
C9—C14	1.388 (3)	O9—H1	0.8500
C9—C15	1.500 (3)	O9—H2	0.8500
C10—C11	1.385 (4)	O10—H3	0.8501
C10—H10A	0.9300	O10—H4	0.8500

O10—Zn1—O7ⁱ	107.66 (7)	C12—C11—H11A	120.1
O10—Zn1—N1	115.30 (7)	C10—C11—H11A	120.1
O7ⁱ—Zn1—N1	118.93 (7)	C11—C12—C13	120.7 (2)
O10—Zn1—O6	97.01 (7)	C11—C12—H12A	119.7
O7ⁱ—Zn1—O6	100.94 (6)	C13—C12—H12A	119.7
N1—Zn1—O6	113.98 (7)	C12—C13—C14	119.1 (2)
O5—Zn2—O9	115.80 (7)	C12—C13—C16	120.12 (19)
O5—Zn2—O1ⁱⁱ	104.80 (6)	C14—C13—C16	120.8 (2)
O9—Zn2—O1ⁱⁱ	99.23 (7)	C9—C14—C13	120.5 (2)
O5—Zn2—O4	112.94 (7)	C9—C14—H14A	119.8
O9—Zn2—O4	120.61 (8)	C13—C14—H14A	119.8
O1ⁱⁱ—Zn2—O4	99.13 (7)	O8—C15—O7	121.3 (2)
O5—Zn2—O3	89.06 (7)	O8—C15—C9	120.48 (19)
O9—Zn2—O3	88.34 (7)	O7—C15—C9	118.2 (2)
O1ⁱⁱ—Zn2—O3	159.06 (6)	O5—C16—O6	121.23 (18)
O4—Zn2—O3	60.56 (6)	O5—C16—C13	120.12 (18)
O5—Zn2—C8	101.74 (7)	O6—C16—C13	118.64 (19)
O9—Zn2—C8	106.32 (8)	N2—C17—N1	110.2 (2)
O1ⁱⁱ—Zn2—C8	129.85 (7)	N2—C17—H17A	124.9
O4—Zn2—C8	30.83 (7)	N1—C17—H17A	124.9
O3—Zn2—C8	29.74 (6)	N3—C18—N1	114.4 (2)
C6—C1—C2	120.77 (19)	N3—C18—H18A	122.8
C6—C1—H1A	119.6	N1—C18—H18A	122.8
C2—C1—H1A	119.6	N2—C19—C20	112.1 (2)
C1—C2—C3	119.1 (2)	N2—C19—H19A	109.2
C1—C2—C8	118.31 (19)	C20—C19—H19A	109.2
C3—C2—C8	122.60 (19)	N2—C19—H19B	109.2
C4—C3—C2	120.3 (2)	C20—C19—H19B	109.2
C4—C3—H3A	119.9	H19A—C19—H19B	107.9
C2—C3—H3A	119.9	C20ⁱⁱⁱ—C20—C19	113.8 (3)
C3—C4—C5	120.4 (2)	C20ⁱⁱⁱ—C20—H20A	108.8
C3—C4—H4A	119.8	C19—C20—H20A	108.8
C5—C4—H4A	119.8	C20ⁱⁱⁱ—C20—H20B	108.8
C4—C5—C6	119.7 (2)	C19—C20—H20B	108.8
C4—C5—H5A	120.1	H20A—C20—H20B	107.7
C6—C5—H5A	120.1	C17—N1—C18	103.10 (19)
C1—C6—C5	119.57 (19)	C17—N1—Zn1	127.13 (15)
C1—C6—C7	118.78 (19)	C18—N1—Zn1	129.41 (17)
C5—C6—C7	121.6 (2)	C17—N2—N3	109.8 (2)
O2—C7—O1	124.67 (19)	C17—N2—C19	129.9 (2)
O2—C7—C6	118.4 (2)	N3—N2—C19	120.3 (2)
O1—C7—C6	116.89 (19)	C18—N3—N2	102.60 (19)
O3—C8—O4	119.1 (2)	C7—O1—Zn2^iv	119.77 (13)
O3—C8—C2	120.46 (19)	C8—O3—Zn2	86.17 (13)
O4—C8—C2	120.4 (2)	C8—O4—Zn2	94.10 (14)
O3—C8—Zn2	64.09 (13)	C16—O5—Zn2	139.61 (14)
O4—C8—Zn2	55.07 (11)	C16—O6—Zn1	113.53 (14)
C2—C8—Zn2	175.04 (16)	C15—O7—Zn1^v	104.09 (14)
C10—C9—C14	119.7 (2)	Zn2—O9—H1	126.8
C10—C9—C15	120.7 (2)	Zn2—O9—H2	124.8
C14—C9—C15	119.7 (2)	H1—O9—H2	95.5
C9—C10—C11	120.3 (2)	Zn1—O10—H3	119.4
C9—C10—H10A	119.8	Zn1—O10—H4	121.5
C11—C10—H10A	119.8	H3—O10—H4	106.0
C12—C11—C10	119.8 (2)

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

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NC2208).

References

Bruker (2007). SMART and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.
Liu, X. G., Wang, L. Y., Zhu, X., Li, B. L. & Zhang, Y. (2009). Cryst. Growth Des. 9, 3997–4005.
Sheldrick, G. M. (1996). SADABS University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. [DOI] [PubMed]
Wang, X. L., Qin, C., Wu, S. X., Shao, K. Z., Lan, Y. Q., Wang, S., Zhu, D. X., Su, Z. M. & Wang, E. B. (2009). Angew. Chem. Int. Ed. 48, 5291–5295. [DOI] [PubMed]

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/S1600536810051433/nc2208sup1.cif

e-67-00m73-sup1.cif^{(20.4KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810051433/nc2208Isup2.hkl

e-67-00m73-Isup2.hkl^{(187.2KB, hkl)}

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

[bb1] Bruker (2007). SMART and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.

[bb2] Liu, X. G., Wang, L. Y., Zhu, X., Li, B. L. & Zhang, Y. (2009). Cryst. Growth Des. 9, 3997–4005.

[bb3] Sheldrick, G. M. (1996). SADABS University of Göttingen, Germany.

[bb4] Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. [DOI] [PubMed]

[bb5] Wang, X. L., Qin, C., Wu, S. X., Shao, K. Z., Lan, Y. Q., Wang, S., Zhu, D. X., Su, Z. M. & Wang, E. B. (2009). Angew. Chem. Int. Ed. 48, 5291–5295. [DOI] [PubMed]

PERMALINK

Poly[tetraaquabis(μ₃-benzene-1,3-dicarboxylato-κ³ O:O′:O′′)bis(μ₂-benzene-1,3-dicarboxylato-κ³ O,O′:O′′)[μ₂-1,4-bis(1,2,4-triazol-1-yl)butane-κ² N:N′]tetrazinc(II)]

Gui-Hong Fu

Abstract

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Experimental

Crystal data

Data collection

Refinement

Supplementary Material

Acknowledgments

supplementary crystallographic information

Comment

Experimental

Refinement

Figures

Fig. 1.

Crystal data

Data collection

Refinement

Special details

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

Atomic displacement parameters (Å²)

Geometric parameters (Å, °)

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PERMALINK

Poly[tetra­aqua­bis­(μ3-benzene-1,3-di­carboxyl­ato-κ3 O:O′:O′′)bis­(μ2-benzene-1,3-dicarboxyl­ato-κ3 O,O′:O′′)[μ2-1,4-bis­(1,2,4-triazol-1-yl)butane-κ2 N:N′]tetra­zinc(II)]

Gui-Hong Fu

Abstract

Related literature

Experimental

Crystal data

Data collection

Refinement

Supplementary Material

Acknowledgments

supplementary crystallographic information

Comment

Experimental

Refinement

Figures

Fig. 1.

Crystal data

Data collection

Refinement

Special details

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

Atomic displacement parameters (Å2)

Geometric parameters (Å, °)

Footnotes

References

Associated Data

Supplementary Materials

ACTIONS

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Poly[tetraaquabis(μ₃-benzene-1,3-dicarboxylato-κ³ O:O′:O′′)bis(μ₂-benzene-1,3-dicarboxylato-κ³ O,O′:O′′)[μ₂-1,4-bis(1,2,4-triazol-1-yl)butane-κ² N:N′]tetrazinc(II)]

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

Atomic displacement parameters (Å²)