Information card for entry 4082757

Structure parameters

• Formula: C43 H64 P2
• Calculated formula: C43 H64 P2
• SMILES: c1(ccccc1Pc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C=Pc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis of a Rhodium Carbonyl Phosphaalkenyl‒Phosphido Complex: A Phosphorus Congener of Schiff Base Type N,N′-Chelating Monoanionic Ligands
• Authors of publication: Matsumoto, Teruyuki; Sasamori, Takahiro; Miyake, Hideaki; Tokitoh, Norihiro
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 6
• Pages of publication: 1341
• a: 11.5636 ± 0.0002 Å
• b: 18.7958 ± 0.0003 Å
• c: 18.2836 ± 0.0004 Å
• α: 90°
• β: 96.2974 ± 0.0009°
• γ: 90°
• Cell volume: 3949.91 ± 0.13 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No