Information card for entry 1520333

Structure parameters

• Formula: C36 H81 N3 Nd O12 P3
• Calculated formula: C36 H81 N3 Nd O12 P3
• SMILES: [Nd]123([O]=P(CC(C)C)(CC(C)C)CC(C)C)(ON(=[O]1)=O)([O]=N(=O)O2)([O]=P(CC(C)C)(CC(C)C)CC(C)C)([O]=P(CC(C)C)(CC(C)C)CC(C)C)[O]=N(=O)O3
• Title of publication: C36H81N3NdO12P3
• Authors of publication: Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 1239
• 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: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No