Information card for entry 2228346

Structure parameters

• Chemical name: Bis[μ-2,2'-dimethyl-1,1'-(3-oxapentane-1,5-diyl)di-1<i>H</i>-benzimidazole- κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[bis(4-methoxybenzoato)-κ<i>O</i>; κ^2^<i>O</i>,<i>O</i>'-cobalt(II)]
• Formula: C72 H72 Co2 N8 O14
• Calculated formula: C72 H72 Co2 N8 O14
• SMILES: c1(C)[n]2[Co](OC(=O)c3ccc(OC)cc3)(OC(=O)c3ccc(OC)cc3)[n]3c4c(n(CCOCCn5c6ccccc6[n](c5C)[Co]([n]5c(n(CCOCCn1c1ccccc21)c1ccccc51)C)(OC(=O)c1ccc(OC)cc1)OC(=O)c1ccc(OC)cc1)c3C)cccc4
• Title of publication: Bis[μ-2,2'-dimethyl-1,1'-(3-oxapentane-1,5-diyl)di-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[bis(4-methoxybenzoato)-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-cobalt(II)]
• Authors of publication: Zhao, Lian-Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1549
• a: 12.4127 ± 0.0003 Å
• b: 16.3933 ± 0.0004 Å
• c: 17.6106 ± 0.0005 Å
• α: 90°
• β: 109.577 ± 0.003°
• γ: 90°
• Cell volume: 3376.34 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0936
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.746
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes