Information card for entry 4330988

Structure parameters

• Formula: C48 H30 Cl2 F10 Ir N6 P
• Calculated formula: C48 H30 Cl2 F10 Ir N6 P
• SMILES: [Ir]123([n]4n(ccc4)c4c(F)cc(F)cc24)([n]2n(ccc2)c2c(F)cc(F)cc32)[n]2c3c4[n]1cccc4C1(c4ccccc4c4ccccc14)c3ccc2c1ccccc1.[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: Cationic Iridium Complexes with Intramolecular π-π Interaction and Enhanced Steric Hindrance for Solid-State Light-Emitting Electrochemical Cells
• Authors of publication: Hsiao-Fan Chen; Wen-Yi Hung; Shou-Wei Chen; Ting-Chih Wang; Shih-Wei Lin; Shu-Hua Chou; Chih-Teng Liao; Hai-Ching Su; Hsiao-An Pan; Pi-Tai Chou; Yi-Hung Liu; Ken-Tsung Wong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12114 - 12121
• a: 12.432 ± 0.0002 Å
• b: 13.543 ± 0.0002 Å
• c: 13.9288 ± 0.0003 Å
• α: 74.532 ± 0.002°
• β: 85.776 ± 0.001°
• γ: 79.589 ± 0.001°
• Cell volume: 2222.19 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0536
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No