Information card for entry 4339656

Structure parameters

• Chemical name: bis(pyridine-4-thionato)gold(I) chloride
• Formula: C10 H10 Au Cl N2 S2
• Calculated formula: C10 Au Cl N2 S2
• SMILES: [Cl-].[Au](Sc1ccncc1)Sc1ccncc1
• Title of publication: Coordination of pyridinethiols in gold(I) complexes.
• Authors of publication: Räisänen, Minna T; Runeberg, Nino; Klinga, Martti; Nieger, Martin; Bolte, Michael; Pyykkö, Pekka; Leskelä, Markku; Repo, Timo
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9954 - 9960
• a: 17.011 ± 0.003 Å
• b: 11.425 ± 0.002 Å
• c: 6.793 ± 0.001 Å
• α: 90°
• β: 99.79 ± 0.03°
• γ: 90°
• Cell volume: 1301 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1286
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2691
• Weighted residual factors for all reflections included in the refinement: 0.2819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No