Information card for entry 4112046

Structure parameters

• Formula: C14 H25 F2 I Ir P
• Calculated formula: C14 H25 F2 I Ir P
• SMILES: C(F)(F)[Ir]1234([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(I)[P](C)(C)C
• Title of publication: A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium
• Authors of publication: Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 15020 - 15021
• a: 12.5004 ± 0.0018 Å
• b: 13.6655 ± 0.0019 Å
• c: 10.2598 ± 0.0015 Å
• α: 90°
• β: 91.923 ± 0.002°
• γ: 90°
• Cell volume: 1751.6 ± 0.4 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No