Information card for entry 7048308

Structure parameters

• Formula: C34 H25 F4 Ir N4 O2
• Calculated formula: C34 H25 F4 Ir N4 O2
• 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: 10.383 ± 0.0003 Å
• b: 10.6683 ± 0.0003 Å
• c: 13.4176 ± 0.0004 Å
• α: 76.274 ± 0.002°
• β: 82.985 ± 0.002°
• γ: 84.99 ± 0.002°
• Cell volume: 1430.37 ± 0.07 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No