Information card for entry 4068189

Structure parameters

• Formula: C24 H20 F24 Ir2 P4
• Calculated formula: C24 H20 F24 Ir2 P4
• SMILES: [IrH2]1234[H][IrH2]54([C]41=C(C=CC=C4C[P]2(C(F)(F)F)C(F)(F)F)C[P]5(C(F)(F)F)C(F)(F)F)[P](Cc1cc(ccc1)C[P]3(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
• Title of publication: Investigation of IridiumCF3PCP Pincer Catalytic Dehydrogenation and Decarbonylation Chemistry
• Authors of publication: Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 1439
• a: 9.8316 ± 0.0001 Å
• b: 12.0044 ± 0.0001 Å
• c: 16.82 ± 0.0002 Å
• α: 71.454 ± 0.001°
• β: 85.192 ± 0.001°
• γ: 69.039 ± 0.001°
• Cell volume: 1756.49 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0402
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No