Information card for entry 7012381

Structure parameters

• Formula: C6 H8 Mn N O5 P
• Calculated formula: C6 H8 Mn 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: 23.06 ± 0.004 Å
• b: 5.233 ± 0.001 Å
• c: 16.412 ± 0.003 Å
• α: 90°
• β: 121.555 ± 0.003°
• γ: 90°
• Cell volume: 1687.6 ± 0.5 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: 0.0633
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No