Information card for entry 2221745

Structure parameters

• Chemical name: 2-[3-(2-Pyridyl)pyrazin-2-yl]pyridinium tetrachloridoaurate(III)
• Formula: C14 H11 Au Cl4 N4
• Calculated formula: C14 H11 Au Cl4 N4
• SMILES: n1ccnc(c1c1[nH+]cccc1)c1ncccc1.[Au](Cl)(Cl)(Cl)[Cl-]
• Title of publication: 2-[3-(2-Pyridyl)pyrazin-2-yl]pyridinium tetrachloridoaurate(III)
• Authors of publication: Yıldırım, Sema Öztürk; Akkurt, Mehmet; Safari, Nasser; Amani, Vahid; McKee, Vickie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m491 - m492
• a: 7.4098 ± 0.0006 Å
• b: 15.5188 ± 0.0013 Å
• c: 14.6197 ± 0.0012 Å
• α: 90°
• β: 90.38 ± 0.001°
• γ: 90°
• Cell volume: 1681.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes