Information card for entry 1564814

Structure parameters

• Formula: C3 H16 Fe N O12 P3
• Calculated formula: C3 H16 Fe N O12 P3
• Title of publication: Synthesis, Structure, and Properties of Nitrilo-tris(methylenephosphonato)-triaquairon(II) {Fe[μ-NH(CH2PO3H)3](H2O)3}, as an Ingredient of Anticorrosive Protective Coatings on the Steel Surface
• Authors of publication: Somov, N.V.; Chausov, F.F.; Zakirova, R.M.; Shumilova, M.A.; Aleksandrov, V.A.; Petrov, V.G.
• Journal of publication: Crystallography Reports
• Year of publication: 2015
• Journal volume: 60
• Journal issue: 6
• Pages of publication: 853 - 859
• a: 9.2619 ± 0.0003 Å
• b: 16.0548 ± 0.0003 Å
• c: 9.757 ± 0.0003 Å
• α: 90°
• β: 115.685 ± 0.004°
• γ: 90°
• Cell volume: 1307.49 ± 0.08 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: 0.0198
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No