Information card for entry 7004486

Structure parameters

• Formula: C24 H29 Au Cl N3
• Calculated formula: C24 H29 Au Cl N3
• SMILES: [Au](Cl)=C1N(C=CN1C/C(=N/c1c(cccc1C(C)C)C(C)C)c1ccccc1)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: 26.68 ± 0.003 Å
• b: 9.851 ± 0.0011 Å
• c: 17.901 ± 0.002 Å
• α: 90°
• β: 102.459 ± 0.002°
• γ: 90°
• Cell volume: 4594 ± 0.9 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No