Information card for entry 4102636

Structure parameters

• Common name: H2Ir(kappa-2-C,P-(P(CH2Ad)(i-Pr)2))(P(CH2Ad)(i-Pr)2)
• Formula: C34 H62 Ir P2
• Calculated formula: C34 H62 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: 10.9025 ± 0.0004 Å
• b: 11.8348 ± 0.0004 Å
• c: 13.4097 ± 0.0005 Å
• α: 90°
• β: 111.181 ± 0.002°
• γ: 90°
• Cell volume: 1613.35 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No