Information card for entry 2019822

Structure parameters

• Chemical name: <i>fac</i>-Trichloridotris(trimethylphosphane-κ<i>P</i>)rhodium methanol hemisolvate
• Formula: C9.5 H29 Cl3 O0.5 P3 Rh
• Calculated formula: C9.5 H29 Cl3 O0.5 P3 Rh
• SMILES: [Rh](Cl)(Cl)(Cl)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C.OC
• Title of publication: Crystal structures offac-trichloridotris(trimethylphosphane-κP)rhodium(III) monohydrate andfac-trichloridotris(trimethylphosphane-κP)rhodium(III) methanol hemisolvate: rhodium structures that are isotypic with their iridium analogs
• Authors of publication: Merola, Joseph S.; Franks, Marion A.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 226
• a: 16.0993 ± 0.0016 Å
• b: 15.591 ± 0.0009 Å
• c: 16.4152 ± 0.0014 Å
• α: 90°
• β: 115.084 ± 0.013°
• γ: 90°
• Cell volume: 3731.7 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• 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: 0.0375
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes