Information card for entry 7035787

Structure parameters

• Formula: C18 H13 Au Br4 N2
• Calculated formula: C18 H13 Au Br4 N2
• SMILES: [Au](Br)(Br)(Br)[Br-].[nH+]1c2c(ccc1c1nc3c(cc1)cccc3)cccc2
• 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: 7.9238 ± 0.0003 Å
• b: 8.3217 ± 0.0003 Å
• c: 15.1134 ± 0.0006 Å
• α: 83.055 ± 0.002°
• β: 84.538 ± 0.001°
• γ: 86.89 ± 0.002°
• Cell volume: 983.84 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No