Information card for entry 1520291

Structure parameters

• Formula: C36 H81 Er N3 O12 P3
• Calculated formula: C36 H81 Er N3 O12 P3
• SMILES: [Er]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: C36H81ErN3O12P3
• Authors of publication: Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.; Lamond, Steven J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 1243
• a: 15.3066 ± 0.0007 Å
• b: 15.3066 ± 0.0007 Å
• c: 43.17 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10114.4 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No