Information card for entry 4324678

Structure parameters

• Formula: C36 H81 N3 Nd O12 P3
• Calculated formula: C36 H81 N3 Nd O12 P3
• Title of publication: Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures
• Authors of publication: Allen Bowden; Peter N. Horton; Andrew W. G. Platt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2553 - 2561
• a: 14.3298 ± 0.0005 Å
• b: 14.476 ± 0.0005 Å
• c: 23.9774 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4973.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No