Information card for entry 7004492

Structure parameters

• Formula: C27 H33 Au Br5 N3
• Calculated formula: C27 H33 Au Br5 N3
• SMILES: [Au](Br)(Br)(Br)=C1N(C=CN1C(Br)C(=N\c1c(cc(Br)cc1C(C)C)C(C)C)\c1ccccc1)C(C)(C)C
• Title of publication: Unprecedented long-range 1,7-bromination in gold complexes of N-(aryl)imino functionalized N-heterocyclic carbenes
• Authors of publication: Samantaray, Manoja K.; Pang, Keliang; Shaikh, Mobin M.; Ghosh, Prasenjit
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 36
• Pages of publication: 4893 - 4902
• a: 9.922 ± 0.0006 Å
• b: 16.9957 ± 0.0008 Å
• c: 20.0391 ± 0.0009 Å
• α: 90°
• β: 101.402 ± 0.005°
• γ: 90°
• Cell volume: 3312.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0788
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No