Information card for entry 4104966

Structure parameters

• Formula: C29 H27 Ir N2
• Calculated formula: C29 H27 Ir N2
• SMILES: [Ir]1234([CH]5=[CH]4CC[CH]2=[CH]3CC5)[n]2c(c3n1c(c1ccccc1)cc3c1ccccc1)cccc2
• 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: 17.3745 ± 0.0015 Å
• b: 14.1163 ± 0.0012 Å
• c: 17.9468 ± 0.0016 Å
• α: 90°
• β: 93.433 ± 0.002°
• γ: 90°
• Cell volume: 4393.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No