Information card for entry 7033391

Structure parameters

• Formula: C51 H42.5 F6 Ir N4 O4.25 P S2
• Calculated formula: C51 H42.5 F6 Ir N4 O4.25 P S2
• Title of publication: Cationic, luminescent cyclometalated iridium(iii) complexes based on substituted 2-phenylthiazole ligands.
• Authors of publication: Stokes, Emily C.; Langdon-Jones, Emily E; Groves, Lara M.; Platts, James A.; Horton, Peter N.; Fallis, Ian A.; Coles, Simon J.; Pope, Simon J. A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 18
• Pages of publication: 8488 - 8496
• a: 16.3828 ± 0.0011 Å
• b: 16.9146 ± 0.0011 Å
• c: 18.4938 ± 0.0013 Å
• α: 87.307 ± 0.005°
• β: 74.66 ± 0.005°
• γ: 77.226 ± 0.005°
• Cell volume: 4819.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1322
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No