Information card for entry 7002257

Structure parameters

• Formula: C34 H60 F8 Ir2 N6 P2
• Calculated formula: C34 H60 F8 Ir2 N6 P2
• SMILES: C(C)(C)[P]([IrH]1(c2c(F)c(F)nc(F)c2F)([NH2][IrH]([NH2]1)([NH3])([P](C(C)C)(C(C)C)C(C)C)c1c(F)c(F)nc(F)c1F)[NH3])(C(C)C)C(C)C.c1ccccc1
• 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: 13.689 ± 0.0002 Å
• b: 9.929 ± 0.0002 Å
• c: 15.011 ± 0.0002 Å
• α: 90°
• β: 92.864 ± 0.001°
• γ: 90°
• Cell volume: 2037.72 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0186
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections included in the refinement: 0.034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No