Information card for entry 2208599

Structure parameters

• Chemical name: Tris[2,5-bis(1H-benzimidazol-2-yl)pyridinato-κ^2^N^1^,N^2^]cobalt(III) dihydrate
• Formula: C57 H40 Co N15 O2
• Calculated formula: C57 H40 Co N15 O2
• SMILES: [Co]123([n]4c5ccccc5[nH]c4c4[n]1cc(cc4)c1[n-]c4ccccc4n1)(n1c4ccccc4nc1c1[n]2cc(cc1)c1nc2ccccc2[nH]1)n1c2ccccc2nc1c1[n]3cc(cc1)c1[nH]c2ccccc2n1.O.O
• Title of publication: Tris[2,5-bis(1<i>H</i>-benzimidazol-2-yl)pyridinato-κ^2^<i>N</i>^1^,<i>N</i>^2^]cobalt(III) dihydrate
• Authors of publication: Zhou, Yan-Ling; Zeng, Ming-Hua; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m663 - m665
• a: 12.1623 ± 0.0008 Å
• b: 13.246 ± 0.0008 Å
• c: 17.485 ± 0.001 Å
• α: 111.712 ± 0.001°
• β: 100.538 ± 0.001°
• γ: 92.334 ± 0.001°
• Cell volume: 2554.7 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes