Information card for entry 4086792

Structure parameters

• Formula: C38 H31 Cl P Rh
• Calculated formula: C38 H31 Cl P Rh
• SMILES: [Rh]123(Cl)([P](c4ccccc4)(c4ccccc4)c4c(cccc4)C4c5ccccc5c5ccccc45)[CH]4C5[CH]3=[CH]2C([CH]1=4)C5
• Title of publication: Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines
• Authors of publication: Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 23
• Pages of publication: 3959
• a: 9.566 ± 0.002 Å
• b: 36.586 ± 0.008 Å
• c: 9.731 ± 0.002 Å
• α: 90°
• β: 118.6 ± 0.003°
• γ: 90°
• Cell volume: 2990.1 ± 1.1 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• 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: 0.0659
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No