Information card for entry 4104971

Structure parameters

• Formula: C88 H70 N4 Rh2 Si2
• Calculated formula: C88 H70 N4 Rh2 Si2
• SMILES: c1(c2ccccc2)c2c3cccc[n]3[Rh]34([H][Rh]54([H]3)([n]3ccccc3c3c(c4ccccc4)cc(n53)c3ccccc3)[Si](c3ccccc3)(C(C)(C)C)c3ccccc3)(n2c(c2ccccc2)c1)[Si](c1ccccc1)(C(C)(C)C)c1ccccc1.CCOCC.CCOCC
• 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: 11.7915 ± 0.001 Å
• b: 13.4246 ± 0.0011 Å
• c: 13.5335 ± 0.0011 Å
• α: 61.518 ± 0.001°
• β: 68.25 ± 0.001°
• γ: 75.752 ± 0.002°
• Cell volume: 1742.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No