Information card for entry 7102921

Structure parameters

• Formula: C14 H26 Cl2 P Rh
• Calculated formula: C14 H26 Cl2 P Rh
• SMILES: [CH]12=[CH]3CC[CH]4=[CH](CC1)[Rh]234(Cl)[P](C(C)C)(C(C)C)Cl
• Title of publication: Simple rhodium-chlorophosphine pre-catalysts for the ortho-arylation of phenols.
• Authors of publication: Bedford, Robin B; Betham, Michael; Caffyn, Andrew J M; Charmant, Jonathan P H; Lewis-Alleyne, Lesley C; Long, Philip D; Polo-Cerón, Dorian; Prashar, Sanjiv
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 8
• Pages of publication: 990 - 992
• a: 7.4343 ± 0.0004 Å
• b: 20.7246 ± 0.0014 Å
• c: 10.6522 ± 0.0007 Å
• α: 90°
• β: 92.041 ± 0.002°
• γ: 90°
• Cell volume: 1640.17 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No