Information card for entry 7035789

Structure parameters

• Formula: C8 H6 Au2 Cl6 N4
• Calculated formula: C8 H6 Au2 Cl6 N4
• SMILES: [Au]1([n]2cccnc2c2nccc[n]12)(Cl)Cl.[Au](Cl)(Cl)(Cl)[Cl-]
• 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: 9.8268 ± 0.0004 Å
• b: 12.1757 ± 0.0005 Å
• c: 14.1229 ± 0.0006 Å
• α: 72.562 ± 0.002°
• β: 84.9 ± 0.002°
• γ: 85.943 ± 0.002°
• Cell volume: 1604.01 ± 0.12 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: 0.0251
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No