Information card for entry 4339660

Structure parameters

• Chemical name: bis(2-pyridinium)disulfide dichloride methanol solvate
• Formula: C10.5 H10 Cl2 N2 O0.5 S2
• Calculated formula: C10.5 H10 Cl2 N2 O0.5 S2
• 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: 5.389 ± 0.001 Å
• b: 11.128 ± 0.001 Å
• c: 23.774 ± 0.002 Å
• α: 90°
• β: 90.73 ± 0.02°
• γ: 90°
• Cell volume: 1425.6 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No