Information card for entry 4104969

Structure parameters

• Formula: C57 H47 Ir N2 Si2
• Calculated formula: C57 H47 Ir N2 Si2
• SMILES: [IrH2]1([Si](c2ccccc2)(c2ccccc2)c2ccccc2)([Si](c2ccccc2)(c2ccccc2)c2ccccc2)n2c(c(c3ccccc3)cc2c2ccccc2)c2[n]1cccc2
• 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: 11.9089 ± 0.0011 Å
• b: 15.3952 ± 0.0014 Å
• c: 25.034 ± 0.002 Å
• α: 90°
• β: 93.419 ± 0.001°
• γ: 90°
• Cell volume: 4581.6 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No