Information card for entry 7013108

Structure parameters

• Formula: C21 H32 Br N3
• Calculated formula: C21 H32 Br N3
• SMILES: [Br-].n1(c[n+](cc1)c1c(cc(cc1C)C)C)C/C(=N\C(C)C)C(C)(C)C
• Title of publication: Silver(I) complex of a new imino-N-heterocyclic carbene and ligand transfer to palladium(II) and rhodium(I)
• Authors of publication: Karl S. Coleman; Hamish T. Chamberlayne; Simon Turberville; Malcolm L. H. Green; Andrew R. Cowley
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 14
• Pages of publication: 2917 - 2922
• a: 12.4006 ± 0.0004 Å
• b: 12.5704 ± 0.0003 Å
• c: 14.3606 ± 0.0005 Å
• α: 90°
• β: 96.5002 ± 0.0011°
• γ: 90°
• Cell volume: 2224.15 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for all reflections included in the refinement: 0.0392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No