Information card for entry 1520330

Structure parameters

• Formula: C80 H84 Br3 La O8 P4
• Calculated formula: C80 H84 Br3 La O8 P4
• SMILES: c1cccc(P(=[O][La]([O]=P(c2ccccc2)(c2ccccc2)c2ccccc2)([O]=P(c2ccccc2)(c2ccccc2)c2ccccc2)(Br)(Br)[O]=P(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c1.OCC.[Br-].CCO.CCO.CCO
• Title of publication: C80H84Br3LaO8P4
• 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: 1236
• a: 14.6651 ± 0.0005 Å
• b: 17.6331 ± 0.0007 Å
• c: 30.0183 ± 0.0011 Å
• α: 90°
• β: 97.668 ± 0.001°
• γ: 90°
• Cell volume: 7693.1 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No