Information card for entry 7029540

Structure parameters

• Formula: C134 H102 Cl4 F32 Ir4 N16 O P4
• Calculated formula: C134 H102 Cl4 F32 Ir4 N16 O P4
• Title of publication: Green-emitting iridium(iii) complexes containing sulfanyl- or sulfone-functionalized cyclometallating 2-phenylpyridine ligands.
• Authors of publication: Constable, Edwin C.; Ertl, Cathrin D.; Housecroft, Catherine E.; Zampese, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 14
• Pages of publication: 5343 - 5356
• a: 14.2353 ± 0.0006 Å
• b: 16.289 ± 0.0007 Å
• c: 17.6451 ± 0.0007 Å
• α: 66.165 ± 0.001°
• β: 81.642 ± 0.002°
• γ: 67.39 ± 0.001°
• Cell volume: 3454.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0399
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No