Information card for entry 4327099

Structure parameters

• Formula: C54 H45 I P3 Rh
• Calculated formula: C54 H45 I P3 Rh
• SMILES: [Rh](I)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Coordination and Organometallic Chemistry of Relevance to the Rhodium-Based Catalyst for Ethylene Hydroamination
• Authors of publication: Aurélien Béthegnies; Vladislava A. Kirkina; Oleg A. Filippov; Jean-Claude Daran; Natalia V. Belkova; Elena Shubina; Rinaldo Poli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12539 - 12552
• a: 19.795 ± 0.0008 Å
• b: 12.613 ± 0.0006 Å
• c: 17.7058 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4420.7 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No