Information card for entry 7023240

Structure parameters

• Formula: C50 H45 F6 Ir N4 O4.5 P
• Calculated formula: C50 H45 F6 Ir N4 O4.5 P
• Title of publication: Cyclometalated cinchophen ligands on iridium(III): towards water-soluble complexes with visible luminescence.
• Authors of publication: Smith, Rebecca A.; Stokes, Emily C.; Langdon-Jones, Emily E; Platts, James A.; Kariuki, Benson M.; Hallett, Andrew J.; Pope, Simon J. A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 28
• Pages of publication: 10347 - 10357
• a: 31.7884 ± 0.0009 Å
• b: 16.8473 ± 0.0005 Å
• c: 18.0766 ± 0.0004 Å
• α: 90°
• β: 94.354 ± 0.002°
• γ: 90°
• Cell volume: 9653 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No