Abstract
The title imidazolium-based ionic-liquid salt, C18H24N4 2+·2PF6 −, has the cation lying about a center of inversion. The five-membered imidazole ring is disordered over two positions (the methyl substituents are ordered). This imidazole ring is approximately perpendicular to the six-membered phenylene ring [dihedral angle = 81.3 (8)° for one disorder component and 83.8 (8)° for the other; the two components are off-set by 2.7 (8)°]. The crystal is a non-merohedral twin with a twin component of 23%.
Related literature
For background to imidazolium-based ionic liquid salts, see: Ganesan et al. (2008 ▶). For the procedure to manipulate twinned diffraction data, see: Spek (2003). 
Experimental
Crystal data
C18H24N4 2+·2PF6 −
M r = 586.35
Triclinic,
a = 7.3808 (3) Å
b = 8.2169 (4) Å
c = 11.0553 (5) Å
α = 73.435 (3)°
β = 71.173 (3)°
γ = 73.897 (3)°
V = 595.43 (5) Å3
Z = 1
Mo Kα radiation
μ = 0.29 mm−1
T = 140 K
0.35 × 0.03 × 0.03 mm
Data collection
Bruker SMART APEX diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.905, T max = 0.991
4724 measured reflections
2654 independent reflections
1654 reflections with I > 2σ(I)
R int = 0.037
Refinement
R[F 2 > 2σ(F 2)] = 0.071
wR(F 2) = 0.224
S = 1.08
2654 reflections
158 parameters
41 restraints
H-atom parameters constrained
Δρmax = 0.53 e Å−3
Δρmin = −0.48 e Å−3
Data collection: APEX2 (Bruker, 2008 ▶); cell refinement: SAINT (Bruker, 2008 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: X-SEED (Barbour, 2001 ▶); software used to prepare material for publication: publCIF (Westrip, 2009 ▶).
Supplementary Material
Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809026336/tk2496sup1.cif
Structure factors: contains datablocks I. DOI: 10.1107/S1600536809026336/tk2496Isup2.hkl
Additional supplementary materials: crystallographic information; 3D view; checkCIF report
Acknowledgments
We thank the University of Malaya (grant Nos. TA 0009/2008 A and FS343/2008 A) for supporting this study.
supplementary crystallographic information
Experimental
α,α-Dibromo-p-xylene (0.78 g, 3 mmol) and 1,2-dimethylimidazole (0.58 g, 7.6 mmol) were refluxed in DMF (50 ml) for 3 h. The product that separated from solution was collected and washed with ether. Crystals were grown from its solution in water.
The bromide salt (0.46 g, 1 mmol) and sodium hexafluorophosphate (0.17 g, 1 mol) were stirred in water (100 ml) for 24 h. The product that separated from solution was collected and washed with ethanol. Crystals were grown from its solution in DMF.
Refinement
The imidazolyl ring is disordered over two positions (the two methyl groups are ordered). The ring was refined as a regular pentagon of 1.35 Å sides; the occupancy could not be refined, so the ring was assumed to be disordered in a 1:1 ratio. The C–Cmethyl, N–Cmethyl and N–Cmethylene pairs of distances were restrained to within 0.01 Å of each other. The anisotropic displacement parameters of the primed atoms were restrained to those of the unprimed ones; these were restrained to be nearly isotropic. The two dimethylimidazolyl units were each restrained to be nearly planar.
Carbon-bound H-atoms were placed in calculated positions (C—H 0.95 to 0.99 Å) and were included in the refinement in the riding model approximation, with U(H) set to 1.2 to 1.5Ueq(C).
The crystal is a non-merohedral twin; the twin law as given by PLATON is (Spek, 2003) (-1 0 0, -0.461 1 - 0.325, 0 0 - 1); the refinement with the inclusion of this gave a twin component of 23%.
Figures
Fig. 1.
Thermal ellipsoid plot (Barbour, 2001) of [C18H24N4]2+ 2[PF6]- at the 70% probability level; hydrogen atoms are drawn as spheres of arbitrary radius. The imidazolyl ring is disordered; only one component (unprimed) of the disorder is shown. The non-H atoms comprising the asymmetric unit are labelled and the unlabelled atoms are related by 2-x, 2-y, -z.
Crystal data
| C18H24N42+·2PF6− | Z = 1 |
| Mr = 586.35 | F(000) = 298 |
| Triclinic, P1 | Dx = 1.635 Mg m−3 |
| Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
| a = 7.3808 (3) Å | Cell parameters from 951 reflections |
| b = 8.2169 (4) Å | θ = 2.6–23.6° |
| c = 11.0553 (5) Å | µ = 0.29 mm−1 |
| α = 73.435 (3)° | T = 140 K |
| β = 71.173 (3)° | Prism, colorless |
| γ = 73.897 (3)° | 0.35 × 0.03 × 0.03 mm |
| V = 595.43 (5) Å3 |
Data collection
| Bruker SMART APEX diffractometer | 2654 independent reflections |
| Radiation source: fine-focus sealed tube | 1654 reflections with I > 2σ(I) |
| graphite | Rint = 0.037 |
| ω scans | θmax = 27.5°, θmin = 2.0° |
| Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −9→9 |
| Tmin = 0.905, Tmax = 0.991 | k = −10→10 |
| 4724 measured reflections | l = −14→14 |
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)] = 0.071 | Hydrogen site location: inferred from neighbouring sites |
| wR(F2) = 0.224 | H-atom parameters constrained |
| S = 1.08 | w = 1/[σ2(Fo2) + (0.0937P)2 + 1.0627P] where P = (Fo2 + 2Fc2)/3 |
| 2654 reflections | (Δ/σ)max = 0.001 |
| 158 parameters | Δρmax = 0.53 e Å−3 |
| 41 restraints | Δρmin = −0.48 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)
| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| P1 | 0.27195 (18) | 0.30311 (17) | 0.76433 (12) | 0.0235 (3) | |
| F6 | 0.2767 (5) | 0.4311 (4) | 0.6246 (3) | 0.0364 (8) | |
| F4 | 0.3686 (5) | 0.1439 (4) | 0.6946 (3) | 0.0428 (8) | |
| F5 | 0.2653 (5) | 0.1760 (4) | 0.9036 (3) | 0.0400 (8) | |
| F3 | 0.0593 (4) | 0.2794 (5) | 0.7741 (3) | 0.0417 (8) | |
| F2 | 0.1736 (5) | 0.4638 (4) | 0.8340 (3) | 0.0494 (10) | |
| F1 | 0.4829 (4) | 0.3294 (5) | 0.7547 (3) | 0.0440 (9) | |
| C1 | 1.1492 (7) | 1.0037 (6) | 0.3848 (4) | 0.0233 (10) | |
| H1 | 1.2518 | 1.0052 | 0.3063 | 0.028* | |
| C2 | 1.0666 (7) | 0.8581 (7) | 0.4421 (5) | 0.0259 (10) | |
| H2 | 1.1122 | 0.7612 | 0.4018 | 0.031* | |
| C3 | 0.9177 (6) | 0.8525 (6) | 0.5581 (5) | 0.0218 (10) | |
| C4 | 0.8353 (7) | 0.6892 (6) | 0.6166 (5) | 0.0263 (11) | |
| H4A | 0.7815 | 0.6670 | 0.5530 | 0.032* | 0.50 |
| H4B | 0.9412 | 0.5891 | 0.6352 | 0.032* | 0.50 |
| H4C | 0.7946 | 0.6625 | 0.5486 | 0.032* | 0.50 |
| H4D | 0.9413 | 0.5921 | 0.6398 | 0.032* | 0.50 |
| N1 | 0.683 (2) | 0.706 (4) | 0.7365 (15) | 0.0231 (17) | 0.50 |
| C5 | 0.493 (3) | 0.753 (2) | 0.7349 (14) | 0.0216 (14) | 0.50 |
| N2 | 0.3833 (7) | 0.7643 (18) | 0.858 (2) | 0.0250 (13) | 0.50 |
| C6 | 0.505 (3) | 0.724 (4) | 0.9349 (6) | 0.034 (2) | 0.50 |
| H6 | 0.4677 | 0.7219 | 1.0259 | 0.040* | 0.50 |
| C7 | 0.690 (2) | 0.688 (5) | 0.860 (2) | 0.031 (3) | 0.50 |
| H7 | 0.8057 | 0.6562 | 0.8892 | 0.038* | 0.50 |
| N1' | 0.670 (2) | 0.695 (4) | 0.7318 (14) | 0.0231 (17) | 0.50 |
| C5' | 0.477 (3) | 0.749 (2) | 0.7430 (16) | 0.0216 (14) | 0.50 |
| N2' | 0.3852 (8) | 0.7552 (19) | 0.869 (2) | 0.0250 (13) | 0.50 |
| C6' | 0.523 (3) | 0.705 (4) | 0.9363 (7) | 0.034 (2) | 0.50 |
| H6' | 0.4993 | 0.6975 | 1.0272 | 0.040* | 0.50 |
| C7' | 0.6988 (18) | 0.668 (5) | 0.851 (2) | 0.031 (3) | 0.50 |
| H7' | 0.8213 | 0.6300 | 0.8718 | 0.038* | 0.50 |
| C8 | 0.3963 (5) | 0.7903 (4) | 0.6307 (4) | 0.0303 (11) | |
| H8A | 0.4926 | 0.7588 | 0.5517 | 0.046* | 0.50 |
| H8B | 0.3380 | 0.9143 | 0.6118 | 0.046* | 0.50 |
| H8C | 0.2937 | 0.7228 | 0.6587 | 0.046* | 0.50 |
| H8D | 0.5010 | 0.7607 | 0.5544 | 0.046* | 0.50 |
| H8E | 0.3388 | 0.9145 | 0.6118 | 0.046* | 0.50 |
| H8F | 0.2953 | 0.7233 | 0.6506 | 0.046* | 0.50 |
| C9 | 0.1775 (5) | 0.8077 (4) | 0.9104 (4) | 0.0407 (14) | |
| H9A | 0.1131 | 0.8479 | 0.8392 | 0.061* | 0.50 |
| H9B | 0.1463 | 0.9001 | 0.9582 | 0.061* | 0.50 |
| H9C | 0.1311 | 0.7052 | 0.9703 | 0.061* | 0.50 |
| H9D | 0.1199 | 0.7958 | 0.8458 | 0.061* | 0.50 |
| H9E | 0.1428 | 0.9291 | 0.9183 | 0.061* | 0.50 |
| H9F | 0.1271 | 0.7344 | 0.9955 | 0.061* | 0.50 |
Atomic displacement parameters (Å2)
| U11 | U22 | U33 | U12 | U13 | U23 | |
| P1 | 0.0225 (6) | 0.0259 (7) | 0.0221 (6) | −0.0038 (5) | −0.0050 (5) | −0.0074 (5) |
| F6 | 0.0438 (18) | 0.0321 (17) | 0.0305 (16) | −0.0089 (14) | −0.0136 (14) | 0.0030 (13) |
| F4 | 0.051 (2) | 0.0294 (17) | 0.0420 (19) | 0.0005 (14) | −0.0048 (15) | −0.0157 (15) |
| F5 | 0.0462 (19) | 0.046 (2) | 0.0278 (16) | −0.0157 (15) | −0.0126 (14) | 0.0012 (14) |
| F3 | 0.0283 (17) | 0.060 (2) | 0.0410 (19) | −0.0154 (15) | −0.0101 (14) | −0.0102 (16) |
| F2 | 0.056 (2) | 0.044 (2) | 0.050 (2) | −0.0074 (17) | −0.0001 (17) | −0.0294 (17) |
| F1 | 0.0302 (17) | 0.064 (2) | 0.0415 (19) | −0.0187 (16) | −0.0123 (14) | −0.0048 (17) |
| C1 | 0.020 (2) | 0.030 (3) | 0.019 (2) | −0.0075 (19) | −0.0014 (17) | −0.0062 (19) |
| C2 | 0.022 (2) | 0.027 (3) | 0.028 (3) | −0.0026 (19) | −0.0044 (19) | −0.010 (2) |
| C3 | 0.017 (2) | 0.024 (2) | 0.025 (2) | 0.0003 (18) | −0.0121 (18) | −0.0026 (19) |
| C4 | 0.020 (2) | 0.027 (3) | 0.031 (3) | −0.005 (2) | −0.0047 (19) | −0.006 (2) |
| N1 | 0.020 (2) | 0.026 (3) | 0.026 (2) | −0.010 (2) | −0.0078 (19) | −0.0027 (18) |
| C5 | 0.022 (3) | 0.022 (2) | 0.021 (3) | −0.009 (2) | −0.003 (2) | −0.0026 (19) |
| N2 | 0.027 (2) | 0.025 (2) | 0.024 (3) | −0.0109 (17) | −0.0049 (17) | −0.003 (2) |
| C6 | 0.046 (4) | 0.042 (5) | 0.017 (2) | −0.019 (4) | −0.010 (2) | −0.001 (2) |
| C7 | 0.035 (3) | 0.036 (7) | 0.032 (4) | −0.014 (3) | −0.017 (3) | −0.003 (3) |
| N1' | 0.020 (2) | 0.026 (3) | 0.026 (2) | −0.010 (2) | −0.0078 (19) | −0.0027 (18) |
| C5' | 0.022 (3) | 0.022 (2) | 0.021 (3) | −0.009 (2) | −0.003 (2) | −0.0026 (19) |
| N2' | 0.027 (2) | 0.025 (2) | 0.024 (3) | −0.0109 (17) | −0.0049 (17) | −0.003 (2) |
| C6' | 0.046 (4) | 0.042 (5) | 0.017 (2) | −0.019 (4) | −0.010 (2) | −0.001 (2) |
| C7' | 0.035 (3) | 0.036 (7) | 0.032 (4) | −0.014 (3) | −0.017 (3) | −0.003 (3) |
| C8 | 0.033 (3) | 0.027 (3) | 0.034 (3) | −0.006 (2) | −0.015 (2) | −0.004 (2) |
| C9 | 0.032 (3) | 0.042 (3) | 0.041 (3) | −0.011 (2) | 0.008 (2) | −0.016 (3) |
Geometric parameters (Å, °)
| P1—F4 | 1.586 (3) | C6—C7 | 1.3500 |
| P1—F5 | 1.590 (3) | C6—H6 | 0.9500 |
| P1—F1 | 1.597 (3) | C7—H7 | 0.9500 |
| P1—F2 | 1.597 (3) | N1'—C5' | 1.3500 |
| P1—F6 | 1.598 (3) | N1'—C7' | 1.3500 |
| P1—F3 | 1.600 (3) | C5'—N2' | 1.3500 |
| C1—C2 | 1.388 (7) | C5'—C8 | 1.459 (7) |
| C1—C3i | 1.393 (6) | N2'—C6' | 1.3500 |
| C1—H1 | 0.9500 | N2'—C9 | 1.428 (6) |
| C2—C3 | 1.392 (6) | C6'—C7' | 1.3500 |
| C2—H2 | 0.9500 | C6'—H6' | 0.9500 |
| C3—C1i | 1.393 (6) | C7'—H7' | 0.9500 |
| C3—C4 | 1.514 (7) | C8—H8A | 0.9800 |
| C4—N1 | 1.449 (7) | C8—H8B | 0.9800 |
| C4—N1' | 1.452 (7) | C8—H8C | 0.9800 |
| C4—H4A | 0.9900 | C8—H8D | 0.9800 |
| C4—H4B | 0.9900 | C8—H8E | 0.9800 |
| C4—H4C | 0.9900 | C8—H8F | 0.9800 |
| C4—H4D | 0.9900 | C9—H9A | 0.9800 |
| N1—C5 | 1.3500 | C9—H9B | 0.9800 |
| N1—C7 | 1.3500 | C9—H9C | 0.9800 |
| C5—N2 | 1.3500 | C9—H9D | 0.9800 |
| C5—C8 | 1.462 (7) | C9—H9E | 0.9800 |
| N2—C6 | 1.3500 | C9—H9F | 0.9800 |
| N2—C9 | 1.422 (6) | ||
| F4—P1—F5 | 90.52 (18) | C5'—N1'—C4 | 131 (2) |
| F4—P1—F1 | 90.71 (19) | C7'—N1'—C4 | 121 (2) |
| F5—P1—F1 | 90.42 (18) | N1'—C5'—N2' | 108.0 |
| F4—P1—F2 | 179.6 (2) | N1'—C5'—C8 | 122 (2) |
| F5—P1—F2 | 89.74 (19) | N2'—C5'—C8 | 130 (2) |
| F1—P1—F2 | 89.58 (19) | C6'—N2'—C5' | 108.0 |
| F4—P1—F6 | 89.62 (18) | C6'—N2'—C9 | 132 (2) |
| F5—P1—F6 | 179.52 (18) | C5'—N2'—C9 | 120 (2) |
| F1—P1—F6 | 90.04 (18) | N2'—C6'—C7' | 108.0 |
| F2—P1—F6 | 90.11 (18) | N2'—C6'—H6' | 126.0 |
| F4—P1—F3 | 89.98 (19) | C7'—C6'—H6' | 126.0 |
| F5—P1—F3 | 89.90 (18) | C6'—C7'—N1' | 108.0 |
| F1—P1—F3 | 179.2 (2) | C6'—C7'—H7' | 126.0 |
| F2—P1—F3 | 89.73 (19) | N1'—C7'—H7' | 126.0 |
| F6—P1—F3 | 89.64 (17) | C5'—C8—H8A | 113.7 |
| C2—C1—C3i | 120.3 (4) | C5—C8—H8A | 109.5 |
| C2—C1—H1 | 119.8 | C5'—C8—H8B | 109.7 |
| C3i—C1—H1 | 119.8 | C5—C8—H8B | 109.5 |
| C1—C2—C3 | 120.7 (4) | H8A—C8—H8B | 109.5 |
| C1—C2—H2 | 119.7 | C5'—C8—H8C | 104.9 |
| C3—C2—H2 | 119.7 | C5—C8—H8C | 109.5 |
| C2—C3—C1i | 119.0 (4) | H8A—C8—H8C | 109.5 |
| C2—C3—C4 | 118.2 (4) | H8B—C8—H8C | 109.5 |
| C1i—C3—C4 | 122.8 (4) | C5'—C8—H8D | 109.5 |
| N1—C4—C3 | 110.7 (13) | C5—C8—H8D | 105.1 |
| N1'—C4—C3 | 115.8 (13) | C5'—C8—H8E | 109.5 |
| N1—C4—H4A | 109.5 | C5—C8—H8E | 109.2 |
| N1'—C4—H4A | 103.2 | H8A—C8—H8E | 109.4 |
| C3—C4—H4A | 109.5 | H8C—C8—H8E | 109.9 |
| N1—C4—H4B | 109.5 | H8D—C8—H8E | 109.5 |
| N1'—C4—H4B | 110.3 | C5'—C8—H8F | 109.5 |
| C3—C4—H4B | 109.5 | C5—C8—H8F | 114.0 |
| H4A—C4—H4B | 108.1 | H8A—C8—H8F | 105.3 |
| N1—C4—H4C | 114.7 | H8B—C8—H8F | 109.1 |
| N1'—C4—H4C | 108.3 | H8D—C8—H8F | 109.5 |
| C3—C4—H4C | 108.3 | H8E—C8—H8F | 109.5 |
| N1—C4—H4D | 107.2 | N2—C9—H9A | 109.5 |
| N1'—C4—H4D | 108.3 | N2'—C9—H9A | 114.6 |
| C3—C4—H4D | 108.3 | N2—C9—H9B | 109.5 |
| C5—N1—C7 | 108.0 | N2'—C9—H9B | 108.2 |
| C5—N1—C4 | 120 (2) | H9A—C9—H9B | 109.5 |
| C7—N1—C4 | 132 (2) | N2—C9—H9C | 109.5 |
| N2—C5—N1 | 108.0 | N2'—C9—H9C | 105.5 |
| N2—C5—C8 | 119 (2) | H9A—C9—H9C | 109.5 |
| N1—C5—C8 | 133 (2) | H9B—C9—H9C | 109.5 |
| C6—N2—C5 | 108.0 | N2—C9—H9D | 105.5 |
| C6—N2—C9 | 121 (2) | N2'—C9—H9D | 109.5 |
| C5—N2—C9 | 131 (2) | N2—C9—H9E | 108.2 |
| N2—C6—C7 | 108.0 | N2'—C9—H9E | 109.5 |
| N2—C6—H6 | 126.0 | H9D—C9—H9E | 109.5 |
| C7—C6—H6 | 126.0 | N2—C9—H9F | 114.6 |
| C6—C7—N1 | 108.0 | N2'—C9—H9F | 109.5 |
| C6—C7—H7 | 126.0 | H9D—C9—H9F | 109.5 |
| N1—C7—H7 | 126.0 | H9E—C9—H9F | 109.5 |
| C5'—N1'—C7' | 108.0 | ||
| C3i—C1—C2—C3 | −0.8 (8) | C9—N2—C6—C7 | 179.8 (3) |
| C1—C2—C3—C1i | 0.8 (8) | N2—C6—C7—N1 | 0.0 |
| C1—C2—C3—C4 | −179.3 (4) | C5—N1—C7—C6 | 0.0 |
| C2—C3—C4—N1 | 180.0 (11) | C4—N1—C7—C6 | 178 (2) |
| C1i—C3—C4—N1 | −0.1 (12) | C3—C4—N1'—C5' | 87.8 (19) |
| C2—C3—C4—N1' | −175.4 (11) | C3—C4—N1'—C7' | −81.7 (9) |
| C1i—C3—C4—N1' | 4.5 (12) | C7'—N1'—C5'—N2' | 0.0 |
| N1'—C4—N1—C5 | −44 (19) | C4—N1'—C5'—N2' | −170.5 (19) |
| C3—C4—N1—C5 | 97.1 (15) | C7'—N1'—C5'—C8 | 179.9 (3) |
| N1'—C4—N1—C7 | 139 (21) | C4—N1'—C5'—C8 | 9.4 (19) |
| C3—C4—N1—C7 | −80.4 (10) | N1'—C5'—N2'—C6' | 0.0 |
| C7—N1—C5—N2 | 0.0 | C8—C5'—N2'—C6' | −179.9 (3) |
| C4—N1—C5—N2 | −178.0 (17) | N1'—C5'—N2'—C9 | −179.8 (3) |
| C7—N1—C5—C8 | 179.9 (3) | C8—C5'—N2'—C9 | 0.3 (4) |
| C4—N1—C5—C8 | 1.9 (17) | C5'—N2'—C6'—C7' | 0.0 |
| N1—C5—N2—C6 | 0.0 | C9—N2'—C6'—C7' | 179.8 (3) |
| C8—C5—N2—C6 | −179.9 (2) | N2'—C6'—C7'—N1' | 0.0 |
| N1—C5—N2—C9 | −179.8 (3) | C5'—N1'—C7'—C6' | 0.0 |
| C8—C5—N2—C9 | 0.2 (4) | C4—N1'—C7'—C6' | 171.6 (18) |
| C5—N2—C6—C7 | 0.0 |
Symmetry codes: (i) −x+2, −y+2, −z+1.
Footnotes
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: TK2496).
References
- Barbour, L. J. (2001). J. Supramol. Chem.1, 189–191.
- Bruker (2008). APEX2 and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.
- Ganesan, K., Alias, Y. & Ng, S. W. (2008). Acta Cryst. C64, o478–o480. [DOI] [PubMed]
- Sheldrick, G. M. (1996). SADABS University of Göttingen, Germany.
- Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. [DOI] [PubMed]
- Spek, A. L. (2003). J. Appl. Cryst.36, 7–13.
- Westrip, S. P. (2009). publCIF In preparation.
Associated Data
This section collects any data citations, data availability statements, or supplementary materials included in this article.
Supplementary Materials
Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809026336/tk2496sup1.cif
Structure factors: contains datablocks I. DOI: 10.1107/S1600536809026336/tk2496Isup2.hkl
Additional supplementary materials: crystallographic information; 3D view; checkCIF report