Information card for entry 2222532

Structure parameters

• Chemical name: Aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(trimethylacetato)- κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-cobalt(II)
• Formula: C22 H28 Co N2 O5
• Calculated formula: C22 H28 Co N2 O5
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Co]14([OH2])(OC(=O)C(C)(C)C)[O]=C(O1)C(C)(C)C
• Title of publication: Aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(trimethylacetato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-cobalt(II)
• Authors of publication: Chen, Xiao-Dan; Chen, Hong-Xian; Li, Zhong-Shu; Zhang, Huai-Hong; Sun, Bai-Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m997
• a: 10.905 ± 0.002 Å
• b: 11.345 ± 0.002 Å
• c: 11.476 ± 0.005 Å
• α: 68.1 ± 0.006°
• β: 64.56 ± 0.005°
• γ: 63.23 ± 0.006°
• Cell volume: 1116 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes