Information card for entry 4102635

Structure parameters

• Common name: H2IrCl(P(CH2Ad)(i-Pr)2)2
• Formula: C36 H69 Cl Ir O0.5 P2
• Calculated formula: C34 H64 Cl Ir P2
• SMILES: [IrH2](Cl)([P](CC12CC3CC(C1)CC(C2)C3)(C(C)C)C(C)C)[P](CC12CC3CC(C1)CC(C2)C3)(C(C)C)C(C)C
• 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: 10.314 ± 0.0016 Å
• b: 12.636 ± 0.0019 Å
• c: 13.91 ± 0.002 Å
• α: 97.399 ± 0.002°
• β: 95.803 ± 0.002°
• γ: 92.354 ± 0.002°
• Cell volume: 1785.9 ± 0.5 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: 0.0379
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No