Information card for entry 7033738

Structure parameters

• Formula: C20 H22 Au F6 N6 P
• Calculated formula: C20 H22 Au F6 N6 P
• SMILES: C1(N(C=NN1C)Cc1ccccc1)=[Au]=C1N(C=NN1C)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 1,2,4-Triazole-derived carbene complexes of gold: characterization, solid-state aggregation and ligand disproportionation.
• Authors of publication: Guo, Shuai; Bernhammer, Jan Christopher; Huynh, Han Vinh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 15157 - 15165
• a: 8.0153 ± 0.0006 Å
• b: 11.312 ± 0.0008 Å
• c: 12.471 ± 0.0009 Å
• α: 90°
• β: 90.985 ± 0.001°
• γ: 90°
• Cell volume: 1130.57 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.081
• 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