Information card for entry 4339655

Structure parameters

• Chemical name: pyridine-4-thione
• Formula: C5 H5 N S
• Calculated formula: C5 H5 N S
• SMILES: S=c1cc[nH]cc1
• 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: 7.214 ± 0.001 Å
• b: 6.158 ± 0.001 Å
• c: 11.691 ± 0.002 Å
• α: 90°
• β: 90.41 ± 0.03°
• γ: 90°
• Cell volume: 519.35 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0567
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No