Information card for entry 7226800

Structure parameters

• Formula: C28 H32 Cl2 Ir N2 O2 P
• Calculated formula: C28 H32 Cl2 Ir N2 O2 P
• Title of publication: Acetals from Primary Alcohols with the Use of Tridentate Proton Responsive Phosphinepyridonate Iridium Catalysts
• Authors of publication: Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Sharma, Gangavaram VM; Suresh, Surisetti; Achard, Mathieu
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 40.484 ± 0.004 Å
• b: 8.4074 ± 0.0008 Å
• c: 21.803 ± 0.002 Å
• α: 90°
• β: 115.093 ± 0.003°
• γ: 90°
• Cell volume: 6720.6 ± 1.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1265
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2702
• Weighted residual factors for all reflections included in the refinement: 0.2959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No