Information card for entry 2217969

Structure parameters

• Chemical name: Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis(4-methylbenzoato- κ^2^<i>O</i>,<i>O</i>')cobalt(II)
• Formula: C30 H26 Co N4 O4
• Calculated formula: C30 H26 Co N4 O4
• SMILES: C1(c2ccc(cc2)C)=[O][Co]2([n]3c[nH]c4ccccc34)([n]3c[nH]c4c3cccc4)(O1)OC(c1ccc(cc1)C)=[O]2
• Title of publication: Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis(4-methylbenzoato-<i>{κ</i>}^2^<i>O</i>,<i>O</i>')cobalt(II)
• Authors of publication: Song, Wen-Dong; Gu, Chang-Sheng; Hao, Xiao-Min; Yan, Jian-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m522
• a: 13.3209 ± 0.0004 Å
• b: 14.5129 ± 0.0004 Å
• c: 15.2656 ± 0.0004 Å
• α: 90°
• β: 107.02 ± 0.001°
• γ: 90°
• Cell volume: 2821.96 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1246
• 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