Information card for entry 7002256

Structure parameters

• Formula: C23 H35 F4 Ir N2 O4 P
• Calculated formula: C23 H35 F4 Ir N2 O4 P
• 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: 14.7892 ± 0.0004 Å
• b: 10.4836 ± 0.0002 Å
• c: 17.1372 ± 0.0005 Å
• α: 90°
• β: 98.78 ± 0.007°
• γ: 90°
• Cell volume: 2625.89 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No