Information card for entry 7012382

Structure parameters

• Formula: C6 H8 Fe N O5 P
• Calculated formula: C6 H8 Fe N O5 P
• Title of publication: {M(C5H4N)CH(OH)PO3}(H2O) (M = Mn, Fe, Co): layered compounds based on [hydroxy(4-pyridyl)methyl]phosphonate
• Authors of publication: Yi, Xiao-Yi; Zheng, Li-Min; Xu, Wei; Chen, Jie-Sheng
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 953
• a: 22.851 ± 0.005 Å
• b: 5.1891 ± 0.0012 Å
• c: 16.381 ± 0.004 Å
• α: 90°
• β: 121.721 ± 0.004°
• γ: 90°
• Cell volume: 1652.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0956
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No