Information card for entry 4329532

Structure parameters

• Common name: neodium methylenediphosphonate
• Formula: C H2 Nd O6 P2
• Calculated formula: C H2 Nd O6 P2
• Title of publication: Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium
• Authors of publication: Juan Diwu; Daniel J. Grant; Shuao Wang; Laura Gagliardi; Thomas E. Albrecht-Schmitt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6906 - 6915
• a: 8.264 ± 0.0013 Å
• b: 14.008 ± 0.002 Å
• c: 5.3404 ± 0.0008 Å
• α: 90°
• β: 111.557 ± 0.002°
• γ: 90°
• Cell volume: 574.97 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No