Information card for entry 7013679

Structure parameters

• Formula: C23 H25 Br Cl2 F2 P Rh
• Calculated formula: C23 H25 Br Cl2 F2 P Rh
• SMILES: [Rh]1234([P](c5ccccc5)(c5ccccc5)C(Br)(F)F)(Cl)(Cl)[c]5([c]1([c]4([c]2([c]35C)C)C)C)C
• Title of publication: Organometallic chemistry of bromodifluoromethyl substituted phosphines. The development of a novel nickel catalysed P?C bond forming reactionElectronic supplementary information (ESI) available: Selected spectroscopic data and procedures, and crystal structure information for trans-[Pd(Cy3P)2Br2]. See http://www.rsc.org/suppdata/dt/b3/b311799e/
• Authors of publication: Clarke, Matthew L.; Guy Orpen, A.; Pringle, Paul G.; Turley, Edward
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 4393
• a: 15.89 ± 0.003 Å
• b: 8.3668 ± 0.0018 Å
• c: 36.119 ± 0.008 Å
• α: 90°
• β: 92.679 ± 0.004°
• γ: 90°
• Cell volume: 4796.7 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No