Information card for entry 2222279

Structure parameters

• Chemical name: {2,2'-[6,6'-Dimethoxycyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}cobalt(II) monohydrate
• Formula: C22 H26 Co N2 O5
• Calculated formula: C22 H26 Co N2 O5
• SMILES: c12c(cccc1C=[N]1[C@H]3CCCC[C@H]3[N]3=Cc4cccc(c4O[Co]13O2)OC)OC.O
• Title of publication: {2,2'-[6,6'-Dimethoxycyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}cobalt(II) monohydrate
• Authors of publication: Bao, Yan; Li, Hong-Feng; Yan, Peng-Fei; Li, Guang-Ming; Hou, Guang-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m770
• a: 11.241 ± 0.003 Å
• b: 10.605 ± 0.003 Å
• c: 17.864 ± 0.007 Å
• α: 90°
• β: 107.158 ± 0.014°
• γ: 90°
• Cell volume: 2034.8 ± 1.1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes