Information card for entry 2222944

Structure parameters

• Chemical name: (μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>')bis[triaqua(4,4'-bipyridine- κ<i>N</i>)(3-nitrophthalato-κ<i>O</i>^2^)cobalt(II)]
• Formula: C46 H42 Co2 N8 O18
• Calculated formula: C46 H42 Co2 N8 O18
• SMILES: c1(c(C(=O)[O-])cccc1N(=O)=O)C(=O)O[Co]([n]1ccc(cc1)c1ccncc1)([n]1ccc(cc1)c1cc[n](cc1)[Co]([n]1ccc(cc1)c1ccncc1)(OC(=O)c1c(cccc1C(=O)[O-])N(=O)=O)([OH2])([OH2])[OH2])([OH2])([OH2])[OH2]
• Title of publication: (μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>')bis[triaqua(4,4'-bipyridine-κ<i>N</i>)(3-nitrophthalato-κ<i>O</i>^2^)cobalt(II)]
• Authors of publication: Guo, Hong-Xu; Yao, Zhong-Liang; Weng, Wen; Li, Xi-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m992 - m993
• a: 15.672 ± 0.003 Å
• b: 9.4283 ± 0.0019 Å
• c: 16.063 ± 0.003 Å
• α: 90°
• β: 103.92 ± 0.03°
• γ: 90°
• Cell volume: 2303.8 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes