Information card for entry 7048307

Structure parameters

• Formula: C32 H19 F6 Ir N4
• Calculated formula: C32 H19 F6 Ir N4
• Title of publication: Tuning the electrochemiluminescent properties of iridium complexes of N-heterocyclic carbene ligands.
• Authors of publication: Quan, Linh M.; Stringer, Bradley D.; Haghighatbin, Mohammad A.; Agugiaro, Johnny; Barbante, Gregory J.; Wilson, David J. D.; Hogan, Conor F.; Barnard, Peter J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 653 - 663
• a: 10.84307 ± 0.00011 Å
• b: 15.66542 ± 0.00016 Å
• c: 15.57142 ± 0.00016 Å
• α: 90°
• β: 92.5122 ± 0.0009°
• γ: 90°
• Cell volume: 2642.44 ± 0.05 ų
• Cell temperature: 172.97 ± 0.14 K
• Ambient diffraction temperature: 172.97 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No