Information card for entry 7236184

Structure parameters

• Formula: C41 H42 Cl F6 Ir N O P3
• Calculated formula: C41 H42 Cl F6 Ir N O P3
• Title of publication: Iridium and rhodium “PNP” aminodiphosphine complexes used as catalysts in the oxidation of styrene
• Authors of publication: Naicker, Dunesha; Friedrich, Holger B.; Pansuriya, Pramod B.
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 37
• Pages of publication: 31005
• a: 14.0391 ± 0.0009 Å
• b: 13.7146 ± 0.0008 Å
• c: 21.6343 ± 0.0014 Å
• α: 90°
• β: 105.838 ± 0.002°
• γ: 90°
• Cell volume: 4007.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No