Information card for entry 2219567

Structure parameters

• Chemical name: Chlorido(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')gold(I) dichloride trihydrate
• Formula: C15 H17 Au Cl3 N3 O3
• Calculated formula: C15 H17 Au Cl3 N3 O3
• SMILES: c1cccc2c3cccc4c5cccc[n]5[Au](Cl)([n]12)[n]34.[Cl-].[Cl-].O.O.O
• Title of publication: Redetermination of chlorido(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')gold(I) dichloride trihydrate at 173 K
• Authors of publication: Friedrich, Holger B.; Maguire, Glenn E. M.; Martincigh, Bice S.; McKay, Michael G.; Pietersen, Lauren K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1240
• a: 8.4486 ± 0.0001 Å
• b: 6.9766 ± 0.0001 Å
• c: 31.1581 ± 0.0006 Å
• α: 90°
• β: 94.392 ± 0.001°
• γ: 90°
• Cell volume: 1831.14 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0354
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.366
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes