Information card for entry 4119452

Structure parameters

• Formula: C39 H60 Ir N4 Si
• Calculated formula: C39 H58 Ir N4 Si
• Title of publication: Si-H Activation in an Iridium Nitrido Complex-A Mechanistic and Theoretical Study
• Authors of publication: Daniel Sieh; Peter Burger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 3971 - 3982
• a: 8.6265 ± 0.0018 Å
• b: 19.609 ± 0.004 Å
• c: 22.208 ± 0.005 Å
• α: 90°
• β: 90.633 ± 0.003°
• γ: 90°
• Cell volume: 3756.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0826
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No