Information card for entry 4330989

Structure parameters

• Formula: C53.5 H33 Cl F10 Ir N6 P
• Calculated formula: C53.5 H33 Cl F10 Ir N6 P
• 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: 16.3211 ± 0.0007 Å
• b: 16.8506 ± 0.0005 Å
• c: 19.4315 ± 0.001 Å
• α: 90°
• β: 114.738 ± 0.006°
• γ: 90°
• Cell volume: 4853.6 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.675
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No