Information card for entry 2014660

Structure parameters

• Chemical name: [μ-2,2'-(1,4-butanediyl)bis(1H-benzimidazole)-κ^2^N^3^:N^3'^]bis{[2,2'- (1,4-butanediyl)bis(1H-benzimidazole)-κ^2^N^3^,N^3'^](nitrato-κO)cobalt(II)} dinitrate ethanol disolvate
• Formula: C58 H66 Co2 N16 O14
• Calculated formula: C58 H66 Co2 N16 O14
• SMILES: c1(CCCCc2[nH]c3ccccc3[n]2[Co]2(ON(=O)=O)[n]3c(CCCCc4[nH]c5ccccc5[n]24)[nH]c2ccccc32)[nH]c2ccccc2[n]1[Co]1(ON(=O)=O)[n]2c(CCCCc3[n]1c1ccccc1[nH]3)[nH]c1ccccc21.O=N(=O)[O-].OCC.N(=O)(=O)[O-].OCC
• Title of publication: A dinuclear complex of cobalt(II) with 2,2'-(1,4-butanediyl)dibenzimidazole
• Authors of publication: Jin Yang; Jian-Fang Ma; Ying-Ying Liu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m101 - m103
• a: 8.726 ± 0.0017 Å
• b: 11.295 ± 0.002 Å
• c: 16.284 ± 0.003 Å
• α: 90.16 ± 0.03°
• β: 96.76 ± 0.03°
• γ: 103.85 ± 0.03°
• Cell volume: 1546.7 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0661
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No