Information card for entry 2203121

Structure parameters

• Formula: C28 H20 Co N4 O6
• Calculated formula: C28 H20 Co N4 O6
• SMILES: [Co]1(OC(=O)c2ccc(cc2)C#N)(OC(=O)c2ccc(cc2)C#N)([OH2])([OH2])[n]2cccc3ccc4ccc[n]1c4c23
• Title of publication: <i>cis</i>-Diaquabis(4-cyanobenzoato)(1,10-phenanthroline)cobalt(II)
• Authors of publication: Xie, Lin-Ming; He, Hong-Yin; Zhou, Yi-Li; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m105 - m107
• a: 7.693 ± 0.0008 Å
• b: 8.9579 ± 0.001 Å
• c: 18.538 ± 0.002 Å
• α: 96.987 ± 0.002°
• β: 95.358 ± 0.002°
• γ: 102.126 ± 0.002°
• Cell volume: 1230.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes