Information card for entry 2202578

Structure parameters

• Chemical name: Aqua(oxydiacetato-κ^3^O,O',O'')(1,10-phenanthroline-κ^2^N,N')cobalt(II) sesquihydrate
• Formula: C16 H17 Co N2 O7.5
• Calculated formula: C16 H17 Co N2 O7.5
• SMILES: [Co]123(OC(=O)C[O]1CC(=O)O2)([OH2])[n]1cccc2ccc4ccc[n]3c4c12.O.O
• Title of publication: Aqua(oxydiacetato-κ^3^<i>O,O</i>',<i>O</i>'')(1,10-phenanthroline-κ^2^<i>N,N</i>')cobalt(II) sesquihydrate
• Authors of publication: Zhi-Yong Wu; Yu-Hong Xue; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m809 - m811
• a: 10.4722 ± 0.0016 Å
• b: 24.3161 ± 0.0009 Å
• c: 13.6729 ± 0.0014 Å
• α: 90°
• β: 93.627 ± 0.001°
• γ: 90°
• Cell volume: 3474.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.07
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes