Information card for entry 4304565

Structure parameters

• Formula: C12 H8 I P
• Calculated formula: C12 H8 I P
• SMILES: Ip1c2ccccc2c2ccccc12
• Title of publication: Size Matters: Room Temperature P-C Bond Formation Through C-H Activation in m-Terphenyldiiodophosphines
• Authors of publication: Armando A. Diaz; Bryan Buster; Daniel Schomisch; Masood A. Khan; J. Clayton Baum; Rudolf J. Wehmschulte
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2858 - 2863
• a: 8.4166 ± 0.0014 Å
• b: 8.9856 ± 0.0015 Å
• c: 14.101 ± 0.002 Å
• α: 90°
• β: 91.757 ± 0.003°
• γ: 90°
• Cell volume: 1065.9 ± 0.3 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 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: 0.0305
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No