Information card for entry 2224095

Structure parameters

• Chemical name: Bis[2-(benzimidazol-2-ylsulfanyl)acetato]bis(2,2'-bipyridine)cadmium(II)
• Formula: C38 H30 Cd N8 O4 S2
• Calculated formula: C38 H30 Cd N8 O4 S2
• SMILES: C(=O)(CSc1nc2ccccc2[nH]1)O[Cd]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)OC(=O)CSc1nc2ccccc2[nH]1
• Title of publication: Bis[2-(benzimidazol-2-ylsulfanyl)acetato]bis(2,2'-bipyridine)cadmium(II)
• Authors of publication: Cheng, Lin; Sun, Yan-Yan; Wang, Jian-Quan; Zhang, Ya-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1356
• a: 26.733 ± 0.002 Å
• b: 9.3043 ± 0.0008 Å
• c: 16.422 ± 0.0014 Å
• α: 90°
• β: 120.254 ± 0.001°
• γ: 90°
• Cell volume: 3528.3 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes