Information card for entry 7055267

Structure parameters

• Formula: C6 H10 Au Cl N2
• Calculated formula: C6 H10 Au Cl N2
• SMILES: Cc1cc(C)n(C)[n]1[Au]Cl
• 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: 7.3641 ± 0.0007 Å
• b: 13.8244 ± 0.0019 Å
• c: 16.9502 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1725.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No