Information card for entry 7053346

Structure parameters

• Formula: C76 H66 Cl4 F6 Ir N10 P
• Calculated formula: C76 H66 Cl4 F6 Ir N10 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Ir]123([n]4ccc(cc4c4ccccc24)C)([n]2ccc(cc2c2ccccc32)C)[n]2ccc(cc2c2[n]1ccc(c2)/C=C/c1ccc(N(Cc2ncccc2)Cc2ncccc2)cc1)/C=C/c1ccc(N(Cc2ncccc2)Cc2ncccc2)cc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Modulating the luminescence of an iridium(iii) complex incorporating a di(2-picolyl)anilino-appended bipyridine ligand with Zn2+ cations
• Authors of publication: Araya, Juan C.; Gajardo, Juana; Moya, Sergio A.; Aguirre, Pedro; Toupet, Loïc; Williams, J. A. Gareth; Escadeillas, Muriel; Le Bozec, Hubert; Guerchais, Véronique
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 21
• a: 12.779 ± 0.001 Å
• b: 19.042 ± 0.002 Å
• c: 19.653 ± 0.001 Å
• α: 62.541 ± 0.007°
• β: 78.889 ± 0.006°
• γ: 70.056 ± 0.007°
• Cell volume: 3985.4 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.541
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No