Information card for entry 4335933

Structure parameters

• Formula: C32.5 H31 Cl3 F6 Ir N6 P
• Calculated formula: C32.5 H31 Cl3 F6 Ir N6 P
• Title of publication: Charged Bis-Cyclometalated Iridium(III) Complexes with Carbene-Based Ancillary Ligands
• Authors of publication: Filippo Monti; Florian Kessler; Manuel Delgado; Julien Frey; Federico Bazzanini; Gianluca Accorsi; Nicola Armaroli; Henk J. Bolink; Enrique Ortí; Rosario Scopelliti; Md. Khaja Nazeeruddin; Etienne Baranoff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10292 - 10305
• a: 15.174 ± 0.003 Å
• b: 15.669 ± 0.0015 Å
• c: 15.7869 ± 0.0017 Å
• α: 90°
• β: 114.473 ± 0.011°
• γ: 90°
• Cell volume: 3416.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0377
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No