Information card for entry 7010385

Structure parameters

• Formula: C27 H36 Cl2 P Rh
• Calculated formula: C27 H36 Cl2 P Rh
• SMILES: [Rh]1234([P](C(C)C)(C(C)C)C(C)C)(Cl)(Cl)[cH]5[cH]1[cH]2[cH]3[c]45C(c1ccccc1)c1ccccc1
• Title of publication: Carbenerhodium(I) complexes of the half-sandwich-type: reactions with electrophiles
• Authors of publication: Bleuel, Elke; Schwab, Peter; Laubender, Matthias; Werner, Helmut
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 266
• a: 8.865 ± 0.002 Å
• b: 23.214 ± 0.002 Å
• c: 13.172 ± 0.003 Å
• α: 90°
• β: 106.85 ± 0.01°
• γ: 90°
• Cell volume: 2594.3 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for all reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.0675
• Goodness-of-fit parameter for all reflections: 1.074
• Goodness-of-fit parameter for significantly intense reflections: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No