Information card for entry 4070948

Structure parameters

• Formula: C54 H51 Ir N4 O3 Si
• Calculated formula: C54 H46 Ir N4 O3 Si
• Title of publication: Base-Promoted Silicon−Hydrogen Bond Activation of Silanes by Iridium(III) Porphyrin Complexes
• Authors of publication: Li, Baozhu; Chan, Kin Shing
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 16
• Pages of publication: 4034
• a: 11.743 ± 0.006 Å
• b: 12.886 ± 0.006 Å
• c: 16.755 ± 0.008 Å
• α: 83.32 ± 0.01°
• β: 84.748 ± 0.009°
• γ: 85.872 ± 0.01°
• Cell volume: 2503 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No