Information card for entry 7004487

Structure parameters

• Formula: C26 H31 Au Br5 N3
• Calculated formula: C26 H31 Au Br5 N3
• SMILES: [Au](Br)(Br)(Br)=C1N(C=CN1C(Br)/C(=N/c1c(C(C)C)cc(Br)cc1C(C)C)c1ccccc1)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: 9.5401 ± 0.0002 Å
• b: 16.5737 ± 0.0004 Å
• c: 19.8649 ± 0.0004 Å
• α: 90°
• β: 98.972 ± 0.002°
• γ: 90°
• Cell volume: 3102.5 ± 0.12 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: 0.0475
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No