Information card for entry 4102642

Structure parameters

• Common name: [Li(12-c-4)2][HIr(kappa-2-C,P-(P(CH2Ad)(i-Pr)2)(P(CH2Ad)(i-Pr)2)]
• Formula: C58 H114 Ir Li O10 P2
• Calculated formula: C50 H94 Ir Li O8 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: 13.1359 ± 0.0011 Å
• b: 14.0399 ± 0.0012 Å
• c: 15.8641 ± 0.0014 Å
• α: 87.976 ± 0.001°
• β: 86.669 ± 0.001°
• γ: 89.379 ± 0.001°
• Cell volume: 2918.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No