Information card for entry 4309065

Structure parameters

• Formula: C48 H43 F18 Ir N13 P3
• Calculated formula: C48 H43 F18 Ir N13 P3
• SMILES: [Ir]1234([n]5c6ccccc6n(C)c5c5[n]1c(ccc5)c1[n]2c2c(n1C)cccc2)[n]1c2ccccc2n(C)c1c1[n]3c(ccc1)c1[n]4c2c(n1C)cccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC
• Title of publication: Syntheses and Properties of Emissive Iridium(III) Complexes with Tridentate Benzimidazole Derivatives
• Authors of publication: Tomona Yutaka; Shinya Obara; Satoshi Ogawa; Koichi Nozaki; Noriaki Ikeda; Takeshi Ohno; Youichi Ishii; Ken Sakai; Masa-aki Haga
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4737 - 4746
• a: 15.2218 ± 0.0012 Å
• b: 19.3547 ± 0.0016 Å
• c: 18.8514 ± 0.0015 Å
• α: 90°
• β: 91.368 ± 0.002°
• γ: 90°
• Cell volume: 5552.3 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No