Information card for entry 7039773

Structure parameters

• Chemical name: ((4,6-bis(trifluoromethyl)-1,3-phenylene)bis(oxy))bis(di-tert-butylphosphine)
• Formula: C24 H38 F6 O2 P2
• Calculated formula: C24 H38 F6 O2 P2
• SMILES: P(Oc1cc(OP(C(C)(C)C)C(C)(C)C)c(cc1C(F)(F)F)C(F)(F)F)(C(C)(C)C)C(C)(C)C
• Title of publication: An electron poor iridium pincer complex for catalytic alkane dehydrogenation.
• Authors of publication: Kovalenko, Oleksandr O.; Wendt, Ola F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 15963 - 15969
• a: 12.132 ± 0.005 Å
• b: 18.353 ± 0.005 Å
• c: 14.104 ± 0.005 Å
• α: 90°
• β: 109.774 ± 0.005°
• γ: 90°
• Cell volume: 2955.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1197
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No