Information card for entry 4105136

Structure parameters

• Formula: C43 H62 N P2 Rh Si
• Calculated formula: C43 H62 N P2 Rh Si
• SMILES: [RhH]12([Si](C)(c3c([P]1(C1CCCCC1)C1CCCCC1)cccc3)c1c([P]2(C2CCCCC2)C2CCCCC2)cccc1)Nc1ccccc1
• Title of publication: Rhodium and Iridium Amido Complexes Supported by Silyl Pincer Ligation: Ammonia N-H Bond Activation by a [PSiP]Ir Complex
• Authors of publication: Erin Morgan; Darren F. MacLean; Robert McDonald; Laura Turculet
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 14234 - 14236
• a: 11.7712 ± 0.0019 Å
• b: 17.415 ± 0.003 Å
• c: 20.937 ± 0.003 Å
• α: 90°
• β: 105.739 ± 0.002°
• γ: 90°
• Cell volume: 4131.1 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.111
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No