Information card for entry 4088015

Structure parameters

• Formula: C150 H186 B6 F24 N54 Rh6
• Calculated formula: C120 H141 B6 F24.002 N39 Rh6
• Title of publication: Triazine Annelated NHC Featuring Unprecedented Coordination Versatility
• Authors of publication: Buck, Dominik M.; Kunz, Doris
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 21
• Pages of publication: 5335
• a: 20.5293 ± 0.0006 Å
• b: 20.5293 ± 0.0006 Å
• c: 24.4165 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8911.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No