Information card for entry 4108433

Structure parameters

• Common name: VM-565-90-1
• Formula: C34 H50 Cl2 Ir N2 O2 P
• Calculated formula: C34 H50 Cl2 Ir N2 O2 P
• Title of publication: Imidazol-2-yl Complexes of Cp*Ir as Bifunctional Ambident Reactants
• Authors of publication: Valentín Miranda-Soto; Douglas B. Grotjahn; Antonio G. DiPasquale; Arnold L. Rheingold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 13200 - 13201
• a: 13.0871 ± 0.001 Å
• b: 15.2737 ± 0.0011 Å
• c: 17.7536 ± 0.0013 Å
• α: 90°
• β: 104.463 ± 0.001°
• γ: 90°
• Cell volume: 3436.3 ± 0.4 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 7
• 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: 0.0245
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No