Information card for entry 8000322

Structure parameters

• Formula: C99 H96 Cl2 Ir2 N10 O3
• Calculated formula: C99 H96 Cl2 Ir2 N10 O3
• 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: 14.7346 ± 0.0002 Å
• b: 14.9699 ± 0.0003 Å
• c: 23.4455 ± 0.0003 Å
• α: 74.694 ± 0.001°
• β: 79.203 ± 0.001°
• γ: 80.84 ± 0.001°
• Cell volume: 4866.79 ± 0.14 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No