Information card for entry 4087607

Structure parameters

• Formula: C65.04 H66.09 B Cl2 F24 Ir N3 O3.02 P
• Calculated formula: C65.036 H66.09 B Cl2 F24 Ir N3 O3.018 P
• Title of publication: Reactivity of an Unsaturated Iridium(III) Phosphoramidate Complex, [Cp*Ir{κ2-N,O}][BArF4]
• Authors of publication: Drover, Marcus W.; Johnson, Heather C.; Schafer, Laurel L.; Love, Jennifer A.; Weller, Andrew S.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3849
• a: 17.9224 ± 0.001 Å
• b: 24.6821 ± 0.0012 Å
• c: 31.866 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14096.3 ± 1.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 9
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No