Information card for entry 2237644

Structure parameters

• Chemical name: Aquabis(4-chlorobenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-bis(pyridine-κ<i>N</i>)cobalt(II)
• Formula: C24 H20 Cl2 Co N2 O5
• Calculated formula: C24 H20 Cl2 Co N2 O5
• SMILES: [Co]1([O]=C(O1)c1ccc(Cl)cc1)(OC(=O)c1ccc(Cl)cc1)([OH2])([n]1ccccc1)[n]1ccccc1
• Title of publication: Aquabis(4-chlorobenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-bis(pyridine-κ<i>N</i>)cobalt(II)
• Authors of publication: Chen, Ya-Li; Zhang, Chun-E; Fei, Peng; Deng, Chao; Su, Bi-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m210
• a: 15.1157 ± 0.0008 Å
• b: 5.8696 ± 0.0003 Å
• c: 28.5419 ± 0.0009 Å
• α: 90°
• β: 109.682 ± 0.003°
• γ: 90°
• Cell volume: 2384.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0479
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes