Information card for entry 2220063

Structure parameters

• Chemical name: Tris(2,2'-bipyridine-κ^2^<i>N</i>:<i>N</i>')cobalt(III) trichloride tetrahydrate
• Formula: C30 H32 Cl3 Co N6 O4
• Calculated formula: C30 H32 Cl3 Co N6 O4
• SMILES: c1cccc2[n]1[Co]13([n]4ccccc4c4[n]1cccc4)([n]1ccccc21)[n]1ccccc1c1[n]3cccc1.O.O.O.O.[Cl-].[Cl-].[Cl-]
• Title of publication: Tris(2,2'-bipyridine-κ^2^<i>N</i>:<i>N</i>')cobalt(III) trichloride tetrahydrate
• Authors of publication: Liu, Wen; Xu, Wei; Lin, Jian-Li; Xie, Hong-Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1586
• a: 20.171 ± 0.004 Å
• b: 23.17 ± 0.005 Å
• c: 13.316 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6223 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes