Information card for entry 2014800

Structure parameters

• Chemical name: Bis[2-(3-pyridinio)benzimidazolium] di-μ-chloro-bis[trichlorocadmium(II)]
• Formula: C24 H22 Cd2 Cl8 N6
• Calculated formula: C24 H22 Cd2 Cl8 N6
• SMILES: c1([nH]c2c(cccc2)[nH+]1)c1c[nH+]ccc1.[Cd]1([Cl][Cd]([Cl]1)(Cl)(Cl)Cl)(Cl)(Cl)Cl.c1([nH]c2c(cccc2)[nH+]1)c1c[nH+]ccc1
• Title of publication: Bis[2-(3-pyridinio)benzimidazolium] di-μ-chloro-bis[trichlorocadmium(II)]
• Authors of publication: Xia, Chang-Kun; Zhang, Quan-Zheng; Chen, Shu-Mei; He, Xiang; Lu, Can-Zhong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m203 - m205
• a: 7.5295 ± 0.0005 Å
• b: 15.857 ± 0.0013 Å
• c: 12.3755 ± 0.0009 Å
• α: 90°
• β: 90.457 ± 0.006°
• γ: 90°
• Cell volume: 1477.53 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No