Information card for entry 7038772

Structure parameters

• Formula: C76 H80 Cl2 F8 Ir2 N6 O2
• Calculated formula: C76 H80 Cl2 F8 Ir2 N6 O2
• Title of publication: When two are better than one: bright phosphorescence from non-stereogenic dinuclear iridium(iii) complexes.
• Authors of publication: Daniels, Ruth E.; Culham, Stacey; Hunter, Michael; Durrant, Marcus C.; Probert, Michael R.; Clegg, William; Williams, J. A. Gareth; Kozhevnikov, Valery N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6949 - 6962
• a: 20.589 ± 0.003 Å
• b: 20.589 ± 0.003 Å
• c: 34.721 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12747 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No