Information card for entry 4079088

Structure parameters

• Common name: Stambuli 1864
• Formula: C70 H122 Cl12 F24 Ir4 O2 P6
• Calculated formula: C70 H122 Cl12 F24 Ir4 O2 P6
• Title of publication: Site-Selective Alkyl Dehydrogenation of a Coordinated Acylphosphine Ligand
• Authors of publication: Whittemore, Sean M.; Yoder, Ryan J.; Stambuli, James P.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6124
• a: 15.8532 ± 0.0003 Å
• b: 38.7135 ± 0.0007 Å
• c: 17.0068 ± 0.0003 Å
• α: 90°
• β: 108.404 ± 0.001°
• γ: 90°
• Cell volume: 9903.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0671
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No