Information card for entry 4102634

Structure parameters

• Common name: P(CH2Ad)(i-Pr)2
• Formula: C17 H31 P
• Calculated formula: C17 H31 P
• SMILES: C(C12CC3CC(C2)CC(C1)C3)P(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: 20.8279 ± 0.0004 Å
• b: 15.5918 ± 0.0003 Å
• c: 10.3665 ± 0.0002 Å
• α: 90°
• β: 110.947 ± 0.001°
• γ: 90°
• Cell volume: 3143.98 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No