Information card for entry 7015849

Structure parameters

• Common name: (POCOP)Rh(H)Cl
• Formula: C18 H32 Cl O2 P2 Rh
• Calculated formula: C18 H32 Cl O2 P2 Rh
• SMILES: c12c3cccc1O[P](C(C)C)(C(C)C)[RhH]2(Cl)[P](C(C)C)(C(C)C)O3
• Title of publication: Catalysis of Kumada-Tamao-Corriu coupling by a (P(O)C(O)P)Rh pincer complex.
• Authors of publication: Timpa, Samuel D.; Fafard, Claudia M.; Herbert, David E.; Ozerov, Oleg V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 20
• Pages of publication: 5426 - 5429
• a: 8.035 ± 0.003 Å
• b: 12.024 ± 0.004 Å
• c: 23.036 ± 0.007 Å
• α: 87.162 ± 0.003°
• β: 82.962 ± 0.003°
• γ: 79.823 ± 0.003°
• Cell volume: 2173.2 ± 1.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0274
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No