Information card for entry 1565204

Structure parameters

• Formula: C54.5 H45 B Cl5 F24 Ir N4 O2
• Calculated formula: C54.5 H45 B Cl5 F24 Ir N4 O2
• Title of publication: Rhodium and iridium NNO-Scorpionate complexes: synthesis, structure, and reactivity with aluminum alkyls
• Authors of publication: Yokley, Timothy W.; Schley, Nathan D.; Brewster, Timothy P.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 506
• Pages of publication: 119529
• a: 12.7123 ± 0.0003 Å
• b: 12.9256 ± 0.0004 Å
• c: 20.2507 ± 0.0005 Å
• α: 108.581 ± 0.003°
• β: 92.978 ± 0.002°
• γ: 103.244 ± 0.002°
• Cell volume: 3041.86 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No