Information card for entry 7053763

Structure parameters

• Formula: C4 H27 N Ni O17 P2
• Calculated formula: C4 H27 N Ni O17 P2
• SMILES: [Ni]123(OP(=O)([O-])C[N]3(CP(=O)(O1)[O-])CC(=O)O2)([OH2])[OH2].O.O.[OH3+].O.[OH3+].[OH3+].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: 11.568 ± 0.002 Å
• b: 10.689 ± 0.002 Å
• c: 15.816 ± 0.003 Å
• α: 90°
• β: 109.17 ± 0.03°
• γ: 90°
• Cell volume: 1847.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No