Information card for entry 2209351

Structure parameters

• Chemical name: Diaqua-bis(2,2'-bipyridine)-dicobalt(II) (μ-p-phenylenediamine-N,N,N',N'-tetraacetato) tetrahydrate
• Formula: C34 H40 Co2 N6 O14
• Calculated formula: C34 H40 Co2 N6 O14
• SMILES: c1c([N]23CC(=O)O[Co]43([n]3ccccc3c3[n]4cccc3)(OC(=O)C2)[OH2])ccc(c1)[N]12CC(=O)O[Co]32([n]2ccccc2c2[n]3cccc2)(OC(=O)C1)[OH2].O.O.O.O
• Title of publication: (μ-<i>p</i>-Phenylenediaminetetraacetato)bis[aqua(2,2'-bipyridine)cobalt(II)] tetrahydrate
• Authors of publication: Hao, Zhi-Feng; Li, Hai-Feng; Chen, Yao-Wen; Zhang, Yao-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1346 - m1347
• a: 9.8813 ± 0.0009 Å
• b: 9.9042 ± 0.0009 Å
• c: 10.824 ± 0.001 Å
• α: 66.108 ± 0.002°
• β: 75.257 ± 0.002°
• γ: 86.508 ± 0.002°
• Cell volume: 935.58 ± 0.15 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: 0.035
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes