Information card for entry 4104967

Structure parameters

• Formula: C57 H45 N2 Rh Si2
• Calculated formula: C57 H45 N2 Rh Si2
• SMILES: [Rh]1([Si](c2ccccc2)(c2ccccc2)c2ccccc2)([Si](c2ccccc2)(c2ccccc2)c2ccccc2)n2c(c3[n]1cccc3)c(cc2c1ccccc1)c1ccccc1
• Title of publication: High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand
• Authors of publication: Jennifer L. McBee; Jose Escalada; T. Don Tilley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 12703 - 12713
• a: 11.817 ± 0.001 Å
• b: 15.419 ± 0.002 Å
• c: 25.088 ± 0.003 Å
• α: 90°
• β: 93.571 ± 0.002°
• γ: 90°
• Cell volume: 4562.3 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1003
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No