Information card for entry 4079237

Structure parameters

• Formula: C12 H12 Au Cl3 N2
• Calculated formula: C12 H12 Au Cl3 N2
• SMILES: [Au]1(Cl)(Cl)(Cl)[n]2c(cccc2c2[n]1c(ccc2)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: 7.7944 ± 0.0002 Å
• b: 9.9168 ± 0.0003 Å
• c: 19.1033 ± 0.0005 Å
• α: 90°
• β: 95.0725 ± 0.0003°
• γ: 90°
• Cell volume: 1470.82 ± 0.07 ų
• Cell temperature: 283 ± 2 K
• Ambient diffraction temperature: 283 ± 2 K
• Number of distinct elements: 5
• 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: 0.0192
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No