Information card for entry 4080112

Structure parameters

• Formula: C57 H72 La N6 P3
• Calculated formula: C57 H72 La N6 P3
• Title of publication: Insertion Reactions and Catalytic Hydrophosphination of Heterocumulenes using α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes
• Authors of publication: Behrle, Andrew C.; Schmidt, Joseph A. R.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1141 - 1149
• a: 10.0569 ± 0.0012 Å
• b: 12.789 ± 0.0016 Å
• c: 21.968 ± 0.003 Å
• α: 82.324 ± 0.002°
• β: 83.209 ± 0.002°
• γ: 80.949 ± 0.002°
• Cell volume: 2751.6 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No