Information card for entry 2213040

Structure parameters

• Chemical name: Aquabis(1H-imidazole-κN^3^)bis(4-methylbenzoato-κ^2^O,O')cobalt(II)
• Formula: C22 H24 Co N4 O5
• Calculated formula: C22 H24 Co N4 O5
• SMILES: [Co]1(OC(=[O]1)c1ccc(cc1)C)(OC(=O)c1ccc(cc1)C)([OH2])([n]1c[nH]cc1)[n]1cc[nH]c1
• Title of publication: Aquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(4-methylbenzoato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)
• Authors of publication: Song, Wen-Dong; Gu, Chang-Sheng; Hao, Xiao-Min; Liu, Ji-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1023 - m1024
• a: 19.0095 ± 0.0003 Å
• b: 5.8831 ± 0.0001 Å
• c: 20.4443 ± 0.0003 Å
• α: 90°
• β: 102.313 ± 0.001°
• γ: 90°
• Cell volume: 2233.79 ± 0.06 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes