Information card for entry 7035794

Structure parameters

• Formula: C10 H9 Au2 Br6 N3
• Calculated formula: C10 H9 Au2 Br6 N3
• SMILES: c12cccc[n]1[Au]([n]1c(N2)cccc1)(Br)Br.[Au](Br)(Br)(Br)[Br-]
• Title of publication: Weak aurophilic interactions in a series of Au(iii) double salts.
• Authors of publication: Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 32
• Pages of publication: 14523 - 14531
• a: 12.7415 ± 0.0002 Å
• b: 15.3365 ± 0.0003 Å
• c: 9.38167 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1833.27 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No