Information card for entry 2220467

Structure parameters

• Chemical name: Triaquachlorido(1,10-phenanthroline-κ^2^N,<i>N</i>')cobalt(II) chloride monohydrate
• Formula: C12 H16 Cl2 Co N2 O4
• Calculated formula: C12 H16 Cl2 Co N2 O4
• SMILES: [Co]1([n]2c3c4[n]1cccc4ccc3ccc2)(Cl)([OH2])([OH2])[OH2].[Cl-].O
• Title of publication: Triaquachlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) chloride monohydrate
• Authors of publication: Liu, Yaru; Pan, Yutian; Sun, Junshan; Zhang, Chuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m114
• a: 7.646 ± 0.004 Å
• b: 12.426 ± 0.006 Å
• c: 16.987 ± 0.008 Å
• α: 90°
• β: 103.54 ± 0.02°
• γ: 90°
• Cell volume: 1569.1 ± 1.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.1286
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes