Information card for entry 2201275

Structure parameters

• Chemical name: trichloro(perdeuteroacetonitrile)bis(triphenylphosphine)rhodium(III)
• Formula: C38 H30 Cl3 D3 N P2 Rh
• Calculated formula: C38 H33 Cl3 N P2 Rh
• SMILES: [Rh](Cl)(Cl)(Cl)([N]#CC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Trichloro(perdeuteroacetonitrile)bis(triphenylphosphine)rhodium(III)
• Authors of publication: Clegg, William; Scott, Andrew J.; Norman, Nicholas C.; Robins, Edward G.; Whittell, George R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: m410 - m411
• a: 26.4006 ± 0.0009 Å
• b: 14.1098 ± 0.0006 Å
• c: 19.8335 ± 0.0012 Å
• α: 90°
• β: 111.666 ± 0.002°
• γ: 90°
• Cell volume: 6866.2 ± 0.6 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes