Information card for entry 7035903

Structure parameters

• Formula: C15 H24 F4 Ir P
• Calculated formula: C15 H24 F4 Ir P
• SMILES: [Ir]1234([P](C)(C)C)([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)=C(F)C(F)(F)F
• Title of publication: Synthesis, structure, and reactivity of iridium perfluorocarbene complexes: regio- and stereo-specific addition of HCl across a metal carbon double bond.
• Authors of publication: Yuan, Jian; Bourgeois, Cheryl J.; Rheingold, Arnold L.; Hughes, Russell P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19528 - 19542
• a: 12.6958 ± 0.0017 Å
• b: 17.033 ± 0.002 Å
• c: 17.415 ± 0.002 Å
• α: 109.33 ± 0.002°
• β: 100.572 ± 0.002°
• γ: 90.329 ± 0.002°
• Cell volume: 3484.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No