Information card for entry 4079238

Structure parameters

• Formula: C14 H16 Au Cl3 N2
• Calculated formula: C14 H16 Au Cl3 N2
• SMILES: [Au]1(Cl)(Cl)(Cl)[n]2c(cc(cc2C)C)c2[n]1c(cc(c2)C)C
• Title of publication: Rock ‘n’ Roll With Gold: Synthesis, Structure, and Dynamics of a (bipyridine)AuCl3Complex
• Authors of publication: Shaw, Anthony P.; Ghosh, Manik Kumer; Törnroos, Karl W.; Wragg, David S.; Tilset, Mats; Swang, Ole; Heyn, Richard H.; Jakobsen, Søren
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7093
• a: 11.8067 ± 0.0011 Å
• b: 10.9333 ± 0.001 Å
• c: 12.8322 ± 0.0012 Å
• α: 90°
• β: 101.971 ± 0.001°
• γ: 90°
• Cell volume: 1620.4 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0148
• Residual factor for significantly intense reflections: 0.0143
• Weighted residual factors for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No