Information card for entry 7002254

Structure parameters

• Formula: C29 H50 F4 Ir N O4 P2
• Calculated formula: C29 H50 F4 Ir N O4 P2
• SMILES: C(C)(C)[P](C(C)C)(C(C)C)[IrH]1(C(=CC(=O)OC)C(=[O]1)OC)(c1c(c(F)nc(c1F)F)F)[P](C(C)C)(C(C)C)C(C)C
• Title of publication: Activation of ethylene and ammonia at iridium: C‒H versus N‒H oxidative addition
• Authors of publication: Salomon, Marcel Ahijado; Jungton, Ann-Katrin; Braun, Thomas
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 37
• Pages of publication: 7669 - 7677
• a: 10.7834 ± 0.0016 Å
• b: 14.3514 ± 0.0016 Å
• c: 21.382 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3309 ± 0.8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0272
• Weighted residual factors for all reflections included in the refinement: 0.0276
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No