Information card for entry 1564836

Structure parameters

• Formula: C3 H30 Cu0.55 N Na4 Ni0.45 O21 P3
• Calculated formula: C3 H30 Cu0.547 N Na4 Ni0.453 O21 P3
• Title of publication: The Crystal-Chemical Features of Phases and the Nature of the Coordination Bond in the System [CuxNi(1 x){N(CH2PO3)3}]Na4 nH2O (x = 01)
• Authors of publication: Somov, N.V.; Chausov, F.F.; Lomova, N.V.; Vorobyov, V.L.; Kazantseva, I.S.; Sapozhnikov, G.V.; Zakirova, R.M.
• Journal of publication: CRYSTALLOGRAPHY REPORTS
• Year of publication: 2020
• Journal volume: 65
• Journal issue: 5
• Pages of publication: 726 - 739
• a: 12.0625 ± 0.0003 Å
• b: 18.7047 ± 0.0004 Å
• c: 21.1297 ± 0.0006 Å
• α: 90°
• β: 104.464 ± 0.003°
• γ: 90°
• Cell volume: 4616.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No