Information card for entry 8000321

Structure parameters

• Formula: C60 H56 Cl Ir N6
• Calculated formula: C60 H56 Cl Ir N6
• Title of publication: Unusually Fast Phosphorescence from Ir(III) Complexes via Dinuclear Molecular Design.
• Authors of publication: Shafikov, Marsel Z.; Daniels, Ruth; Kozhevnikov, Valery N.
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2019
• Pages of publication: 7015 - 7024
• a: 15.7708 ± 0.0004 Å
• b: 18.1452 ± 0.0005 Å
• c: 20.416 ± 0.0006 Å
• α: 75.089 ± 0.002°
• β: 68.707 ± 0.003°
• γ: 78.676 ± 0.002°
• Cell volume: 5225.7 ± 0.3 ų
• Cell temperature: 123 ± 0.19 K
• Ambient diffraction temperature: 123 ± 0.19 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No