Information card for entry 1100770

Structure parameters

• Formula: C6 H8 N Ni O5 P
• Calculated formula: C6 H8 N Ni O5 P
• Title of publication: Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O
• Authors of publication: Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3599 - 3604
• a: 8.798 ± 0.0013 Å
• b: 10.1982 ± 0.0015 Å
• c: 17.945 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1610.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No