Information card for entry 7014576

Structure parameters

• Formula: C30 H32 Cl2 Ir P S2
• Calculated formula: C30 H32 Cl2 Ir P S2
• SMILES: [Ir]1(Cl)(Cl)([S]2CCCC2)([S]2CCCC2)[P](c2c3c1cccc3ccc2)(c1ccccc1)c1ccccc1
• Title of publication: Heteroleptic Ir(III) complexes containing both azolate chromophoric chelate and diphenylphosphinoaryl cyclometalates; reactivities, electronic properties and applications.
• Authors of publication: Lin, Chen-Huey; Chi, Yun; Chung, Min-Wen; Chen, Yi-Ju; Wang, Kang-Wei; Lee, Gene-Hsiang; Chou, Pi-Tai; Hung, Wen-Yi; Chiu, Hao-Chih
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 5
• Pages of publication: 1132 - 1143
• a: 9.4024 ± 0.0001 Å
• b: 15.6941 ± 0.0002 Å
• c: 18.7797 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2771.17 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No