Information card for entry 4102639

Structure parameters

• Common name: H3Ir(P(CH2Ad)(i-Pr)2)2
• Formula: C34 H65 Ir P2
• Calculated formula: C34 H65 Ir P2
• Title of publication: Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations
• Authors of publication: Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 8921 - 8923
• a: 13.1354 ± 0.0009 Å
• b: 11.1154 ± 0.0008 Å
• c: 22.907 ± 0.0016 Å
• α: 90°
• β: 100.983 ± 0.001°
• γ: 90°
• Cell volume: 3283.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No