Information card for entry 2205948

Structure parameters

• Chemical name: Bis{chloro[tris(1H-benzimidazol-2-ylmethyl)amine]cobalt(II)} tetrachlorocobalt(II) methanol tetrasolvate
• Formula: C52 H58 Cl6 Co3 N14 O4
• Calculated formula: C52 H58 Cl6 Co3 N14 O4
• SMILES: C1c2[n](c3c(cccc3)[nH]2)[Co]23([N]1(Cc1[n]2c2c([nH]1)cccc2)Cc1[n]3c2c([nH]1)cccc2)Cl.OC.OC.Cl[Co](Cl)([Cl-])[Cl-].C1c2[n](c3c(cccc3)[nH]2)[Co]23([N]1(Cc1[n]2c2c([nH]1)cccc2)Cc1[n]3c2c([nH]1)cccc2)Cl.OC.OC
• Title of publication: Bis{[tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine]chlorocobalt(II)} tetrachlorocobaltate(II) methanol tetrasolvate
• Authors of publication: Li, Xue-Mei; Feng, Si-Si; Zhang, Hong-Mei; Su, Ying-Lan; Qin, Shi-Dong; Lu, Li-Ping; Xue, Wan-Hua; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1067 - m1069
• a: 23.432 ± 0.007 Å
• b: 16.752 ± 0.005 Å
• c: 16.134 ± 0.005 Å
• α: 90°
• β: 94.372 ± 0.005°
• γ: 90°
• Cell volume: 6315 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1973
• Residual factor for significantly intense reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.2237
• Weighted residual factors for all reflections included in the refinement: 0.2593
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes