Information card for entry 2231996

Structure parameters

• Chemical name: <i>trans</i>-Carbonylchloridobis[tris(naphthalen-1-yl)phosphane- κ<i>P</i>]rhodium(I) acetone trisolvate
• Formula: C70 H60 Cl O4 P2 Rh
• Calculated formula: C70 H60 Cl O4 P2 Rh
• SMILES: C(#[O])[Rh]([P](c1c2ccccc2ccc1)(c1c2ccccc2ccc1)c1c2ccccc2ccc1)([P](c1cccc2c1cccc2)(c1c2ccccc2ccc1)c1c2ccccc2ccc1)Cl.CC(=O)C.CC(=O)C.CC(=O)C
• Title of publication: <i>trans</i>-Carbonylchloridobis[tris(naphthalen-1-yl)phosphane-κ<i>P</i>]rhodium(I) acetone trisolvate
• Authors of publication: Meijboom, Reinout
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1438
• a: 10.1306 ± 0.0015 Å
• b: 27.673 ± 0.004 Å
• c: 20.201 ± 0.003 Å
• α: 90°
• β: 94.61 ± 0.004°
• γ: 90°
• Cell volume: 5644.9 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes