Information card for entry 7003128

Structure parameters

• Common name: racemic-mer-tris(kappa$2!C3,C2'-2-phenyl-pyrido(1,2-c) imidazo-3-ylidene)iridium(iii)
• Chemical name: racemic-mer-tris(κ^2^C3,C2'-2-phenyl-pyrido[1,2-c] imidazo-3-ylidene)iridium(III)
• Formula: C39 H27 Ir N6
• Calculated formula: C39 H27 Ir N6
• Title of publication: Stepwise and one-pot syntheses of Ir(iii) complexes with imidazolium-based carbene ligands
• Authors of publication: Chien, Chih-Hsien; Fujita, Singo; Yamoto, Suguru; Hara, Takeshi; Yamagata, Tsuneaki; Watanabe, Masami; Mashima, Kazushi
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 7
• Pages of publication: 916 - 923
• a: 19.109 ± 0.002 Å
• b: 19.109 ± 0.002 Å
• c: 35.2 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12853 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1394
• Residual factor for significantly intense reflections: 0.1137
• Weighted residual factors for significantly intense reflections: 0.2202
• Weighted residual factors for all reflections included in the refinement: 0.2301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No