Information card for entry 4080671

Structure parameters

• Formula: C66 H59 F10 Ir N3 O3 P3
• Calculated formula: C66 H59 F10 Ir N3 O3 P3
• SMILES: [Ir]123([P](c4cccc5Nc6cccc([P]1(c1ccccc1)c1ccccc1)c6Oc45)(c1ccccc1)c1ccccc1)([n]1ccccc1c1c(F)cc(F)cc21)[n]1ccccc1c1c(F)cc(F)cc31.[P](F)(F)(F)(F)(F)[F-].O(CC)CC.O(CC)CC
• Title of publication: Enhanced Emission and Analyte Sensing by Cinchonine Iridium(III) Cyclometalated Complexes Bearing Bent Diphosphine Chelators
• Authors of publication: Luo, Shao-Xiong; Wei, Lu; Zhang, Xin-Hai; Lim, Min Hwee; Lin, K. X. Vivian; Yeo, M. H. Valerie; Zhang, Wen-Hua; Liu, Zhi-Pan; Young, David J.; Hor, T. S. Andy
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 2908
• a: 12.487 ± 0.002 Å
• b: 13.955 ± 0.003 Å
• c: 18.365 ± 0.003 Å
• α: 103.716 ± 0.004°
• β: 98.452 ± 0.004°
• γ: 104.397 ± 0.004°
• Cell volume: 2938.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0616
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No