Information card for entry 2206964

Structure parameters

• Chemical name: Tris(1H-benzimidazole-κN^3^)(oxydiacetate-κ^3^O,O',O'')cobalt(II)
• Formula: C25 H22 Co N6 O5
• Calculated formula: C25 H22 Co N6 O5
• SMILES: [Co]12([n]3c[nH]c4ccccc34)([n]3c[nH]c4ccccc34)([n]3c[nH]c4ccccc34)OC(=O)C[O]1CC(=O)O2
• Title of publication: Tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')cobalt(II)
• Authors of publication: Lei Cao; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2127 - m2129
• a: 12.2152 ± 0.0004 Å
• b: 10.312 ± 0.0002 Å
• c: 19.3617 ± 0.0004 Å
• α: 90°
• β: 91.257 ± 0.001°
• γ: 90°
• Cell volume: 2438.27 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes