Information card for entry 2210969

Structure parameters

• Chemical name: Hexaaquacobalt(II) bis(4-nitrophenoxyacetate) pentahydrate
• Formula: C16 H34 Co N2 O21
• Calculated formula: C16 H34 Co N2 O21
• SMILES: [Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].c1(ccc(cc1)OCC(=O)[O-])N(=O)=O.c1(ccc(cc1)OCC(=O)[O-])N(=O)=O.O.O.O.O.O
• Title of publication: Hexaaquacobalt(II) bis(4-nitrophenoxyacetate) pentahydrate
• Authors of publication: Gao, Jin-Sheng; Li, Bai-Yan; Hou, Guang-Feng; Zhang, Yi-Ming; Yan, Peng-Fei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3029 - m3030
• a: 7.0337 ± 0.0014 Å
• b: 10.687 ± 0.002 Å
• c: 18.466 ± 0.004 Å
• α: 87.92 ± 0.03°
• β: 87.88 ± 0.03°
• γ: 84.15 ± 0.03°
• Cell volume: 1379.2 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes