Information card for entry 7109603

Structure parameters

• Formula: C76.5 H78 B3 Cl3 F12 N6 O
• Calculated formula: C76.5 H78 B3 Cl3 F12 N6 O
• Title of publication: Planar tris-N-heterocyclic carbenes
• Authors of publication: Yun-Ting Wang; Meng-Ting Chang; Gene-Hsiang Lee; Shie-Ming Peng; Ching-Wen Chiu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7258
• a: 18.169 ± 0.0003 Å
• b: 35.2816 ± 0.0006 Å
• c: 23.4175 ± 0.0004 Å
• α: 90°
• β: 98.6191 ± 0.0006°
• γ: 90°
• Cell volume: 14841.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2059
• Residual factor for significantly intense reflections: 0.1369
• Weighted residual factors for significantly intense reflections: 0.3159
• Weighted residual factors for all reflections included in the refinement: 0.3466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No