Information card for entry 7700132

Structure parameters

• Formula: C39 H37 Cl2 F6 Ir N7 P
• Calculated formula: C39 H37 Cl2 F6 Ir N7 P
• Title of publication: Luminescent iridium(iii) complexes of N-heterocyclic carbene ligands prepared using the 'click reaction'.
• Authors of publication: Karmis, Rebecca E.; Carrara, Serena; Baxter, Amy A.; Hogan, Conor F.; Hulett, Mark D.; Barnard, Peter J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 9998 - 10010
• a: 17.1602 ± 0.0005 Å
• b: 12.9309 ± 0.0004 Å
• c: 17.8048 ± 0.0005 Å
• α: 90°
• β: 92.613 ± 0.003°
• γ: 90°
• Cell volume: 3946.7 ± 0.2 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 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: 0.0392
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No