Information card for entry 4309064

Structure parameters

• Formula: C93 H77 B2 Ir N10
• Calculated formula: C93 H77 B2 Ir N10
• SMILES: [Ir]1234([n]5c6ccccc6n(C)c5c5c4c(ccc5)c4[n]1c1c(n4C)cccc1)[n]1c4ccccc4n(C)c1c1[n]2c(ccc1)c1[n]3c2c(n1C)cccc2.N#CC.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 17.204 ± 0.005 Å
• b: 20.227 ± 0.006 Å
• c: 21.092 ± 0.006 Å
• α: 90°
• β: 94.187 ± 0.004°
• γ: 90°
• Cell volume: 7320 ± 4 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No