Information card for entry 4119454

Structure parameters

• Formula: C39 H57 Ir N4 Si
• Calculated formula: C39 H57 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: 15.1165 ± 0.0005 Å
• b: 14.0913 ± 0.0005 Å
• c: 18.6829 ± 0.0006 Å
• α: 90°
• β: 104.79°
• γ: 90°
• Cell volume: 3847.8 ± 0.2 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: 0.0598
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No