Information card for entry 2213631

Structure parameters

• Chemical name: Diaquabis(4-chlorobenzoato-κO)(1,10-phenanthroline-κ^2^N,N')cobalt(II)
• Formula: C26 H20 Cl2 Co N2 O6
• Calculated formula: C26 H20 Cl2 Co N2 O6
• SMILES: C(=O)(c1ccc(cc1)Cl)O[Co]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)c1ccc(cc1)Cl)([OH2])[OH2]
• Title of publication: Diaquabis(4-chlorobenzoato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)
• Authors of publication: Yu-Lan Ren; Yu-Jing Liu; Wen-Dong Song
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1191 - m1193
• a: 7.7228 ± 0.0002 Å
• b: 9.0264 ± 0.0002 Å
• c: 18.071 ± 0.0004 Å
• α: 96.427 ± 0.001°
• β: 94.887 ± 0.001°
• γ: 102.763 ± 0.001°
• Cell volume: 1212.99 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes