Information card for entry 1564818

Structure parameters

• Formula: C3 H16 N Ni O12 P3
• Calculated formula: C3 H16 N Ni O12 P3
• Title of publication: Synthesis, Structure, and Properties of Nickel Complexes with Nitrilotris(methylenephosphonic acid) [Ni(H2O)3N(CH2PO3H)3] and Na4[Ni(H2O)N(CH2PO3)3] 11H2O
• Authors of publication: Somov, N.V.; Chausov, F.F.; Zakirova, R.M.; Fedotova, I.V.
• Journal of publication: Crystallography Reports
• Year of publication: 2016
• Journal volume: 61
• Journal issue: 2
• Pages of publication: 216 - 224
• a: 9.1712 ± 0.0001 Å
• b: 16.057 ± 0.0001 Å
• c: 9.7089 ± 0.0001 Å
• α: 90°
• β: 115.83 ± 0.002°
• γ: 90°
• Cell volume: 1286.91 ± 0.03 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No