Information card for entry 7236186

Structure parameters

• Formula: C40 H48 Cl3 F6 Ir N P3
• Calculated formula: C40 H46 Cl3 F6 Ir N 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: 17.5194 ± 0.001 Å
• b: 12.9278 ± 0.0008 Å
• c: 18.8945 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4279.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No