Information card for entry 4076279

Structure parameters

• Formula: C20 H31 Cl O2 P Rh
• Calculated formula: C20 H31 Cl O2 P Rh
• SMILES: C(#[O])[Rh](C#[O])(Cl)[P](C(C)(C)C)(C(C)(C)C)CCc1c(cccc1C)C
• Title of publication: Mono- and Dinuclear Rhodium(I) and Rhodium(III) Complexes with the Bulky Phosphine 2,6-Me2C6H3CH2CH2PtBu2, Including the First Structurally Characterized Cis-Configurated Dicarbonyl Compound,cis-[RhCl(CO)2(PR3)]
• Authors of publication: Canepa, Giuseppe; Brandt, Carsten D.; Werner, Helmut
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 1140
• a: 7.9221 ± 0.0004 Å
• b: 8.6663 ± 0.0004 Å
• c: 16.9724 ± 0.0009 Å
• α: 90.031 ± 0.001°
• β: 90.64 ± 0.001°
• γ: 111.765 ± 0.001°
• Cell volume: 1082.1 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No