Information card for entry 7042572

Structure parameters

• Formula: C48 H44 F10 Ir N6 O7 P
• Calculated formula: C48 H44 F10 Ir N6 O7 P
• Title of publication: Bis-cyclometalated iridium complexes with electronically modified aryl isocyanide ancillary ligands.
• Authors of publication: Na, Hanah; Maity, Ayan; Teets, Thomas S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 5008 - 5016
• a: 13.775 ± 0.004 Å
• b: 27.323 ± 0.007 Å
• c: 12.973 ± 0.004 Å
• α: 90°
• β: 97.656 ± 0.004°
• γ: 90°
• Cell volume: 4839 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No