Information card for entry 7028155

Structure parameters

• Formula: C12 H15 N O2 S Sn
• Calculated formula: C12 H15 N O2 S Sn
• Title of publication: Supramolecular organization in catena-poly{diethyl[3-(2-pyridyl)-2-sulfanylpropenoato]tin(IV)} and related diorganotin(IV) sulfanylcarboxylato compounds
• Authors of publication: Casas, José S.; Castiñeiras, Alfonso; Couce, Maria D.; Playá, Nuria; Russo, Umberto; Sánchez, Agustin; Sordo, José; Varela, José Ma
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 9
• Pages of publication: 1513
• a: 23.455 ± 0.004 Å
• b: 11.1793 ± 0.0014 Å
• c: 10.3097 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2703.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No