Information card for entry 4088014

Structure parameters

• Formula: C19 H22 Cl N6 Rh
• Calculated formula: C19 H22 Cl N6 Rh
• 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: 7.8798 ± 0.0002 Å
• b: 14.6553 ± 0.0003 Å
• c: 32.3149 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3731.75 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No