Information card for entry 7231076

Structure parameters

• Formula: C39 H24 Cl2 F16 Ir N6 P
• Calculated formula: C39 H24 Cl2 F16 Ir N6 P
• Title of publication: Mixed annihilation electrogenerated chemiluminescence of iridium(iii) complexes.
• Authors of publication: Soulsby, Lachlan C.; Hayne, David J.; Doeven, Egan H.; Wilson, David J. D.; Agugiaro, Johnny; Connell, Timothy U.; Chen, Lifen; Hogan, Conor F.; Kerr, Emily; Adcock, Jacqui L.; Donnelly, Paul S.; White, Jonathan M.; Francis, Paul S.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 28
• Pages of publication: 18995 - 19006
• a: 11.9028 ± 0.0004 Å
• b: 12.4757 ± 0.0004 Å
• c: 14.8516 ± 0.0005 Å
• α: 84.354 ± 0.003°
• β: 77.044 ± 0.003°
• γ: 75.399 ± 0.003°
• Cell volume: 2077.79 ± 0.12 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No