Information card for entry 4076509

Structure parameters

• Formula: C48 H54 Br2 N6 O
• Calculated formula: C48 H54 Br2 N6 O
• 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: 19.862 ± 0.0014 Å
• b: 8.3618 ± 0.0002 Å
• c: 27.6873 ± 0.0018 Å
• α: 90°
• β: 95.56 ± 0.003°
• γ: 90°
• Cell volume: 4576.7 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.395
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No