Information card for entry 7055269

Structure parameters

• Formula: C12 H20 Au B F4 N4
• Calculated formula: C12 H20 Au B F4 N4
• SMILES: Cc1cc(C)n(C)[n]1[Au][n]1c(C)cc(C)n1C.[B](F)(F)(F)[F-]
• Title of publication: Weaving an infinite 3-D supramolecular network via AuI⋯AuIIIaurophilicity and C‒H⋯Cl hydrogen bonding
• Authors of publication: Chou, Chang-Chuan; Yang, Chia-Chi; Chang, Hao-Ching; Lee, Way-Zen; Kuo, Ting-Shen
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 1944
• a: 8.5936 ± 0.0014 Å
• b: 13.854 ± 0.002 Å
• c: 14.342 ± 0.002 Å
• α: 77.941 ± 0.002°
• β: 82.224 ± 0.003°
• γ: 77.872 ± 0.003°
• Cell volume: 1625.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No