Information card for entry 4001158

Structure parameters

• Formula: C H5 Nd O7 P
• Calculated formula: C H5 Nd O7 P
• Title of publication: Luminescent Lanthanide Oxalatophosphites with a 3D Framework Structure: [Ln(H2O)(C2O4)0.5(HPO3)]·H2O (Ln = Pr, Nd, and Sm−Lu)
• Authors of publication: Wang, Chih-Min; Wu, Yi-Ying; Chang, Yu-Wei; Lii, Kwang-Hwa
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 9
• Pages of publication: 2857
• a: 6.6544 ± 0.0002 Å
• b: 7.038 ± 0.0002 Å
• c: 7.7938 ± 0.0003 Å
• α: 111.16 ± 0.002°
• β: 95.307 ± 0.002°
• γ: 90.59 ± 0.002°
• Cell volume: 338.57 ± 0.02 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No