Information card for entry 7053762

Structure parameters

• Formula: C4 H19 Co N O13 P2
• Calculated formula: C4 H19 Co N O13 P2
• SMILES: [Co]123([OH2])(OC(=O)C[N]2(CP(=O)(O1)O)CP(=O)(O3)O)[OH2].[OH3+].O.O
• Title of publication: Solvothermal syntheses, characterizations and properties of three transition metal (Ni(ii), Co(ii)) imino-carboxylate-diphosphonates
• Authors of publication: Ma, Kuirong; Xu, Jianing; Zhang, Lirong; Shi, Jing; Zhang, Daojun; Zhu, Yulan; Fan, Yong; Song, Tianyong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 886
• a: 9.3817 ± 0.0019 Å
• b: 9.3988 ± 0.0019 Å
• c: 9.776 ± 0.002 Å
• α: 82.84 ± 0.03°
• β: 62.55 ± 0.03°
• γ: 76.32 ± 0.03°
• Cell volume: 743.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No