Information card for entry 4076511

Structure parameters

• Formula: C20 H27 Br N3 O Rh
• Calculated formula: C20 H27 Br N3 O Rh
• SMILES: [Rh]123(=C4N(C(=O)N(CN4Cc4ccccc4)C)C)([CH]4CC[CH]1=[CH]3CC[CH]2=4)Br
• Title of publication: Diamino- and Mixed Amino‒Amido-N-Heterocyclic Carbenes Based on Triazine Backbones
• Authors of publication: Makhloufi, Abdelaziz; Frank, Walter; Ganter, Christian
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 2001
• a: 22.3837 ± 0.0007 Å
• b: 7.053 ± 0.0003 Å
• c: 12.7219 ± 0.0004 Å
• α: 90°
• β: 98.65 ± 0.003°
• γ: 90°
• Cell volume: 1985.59 ± 0.12 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1166
• 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: No
• Has Fobs: No