Information card for entry 8101746

Structure parameters

• Chemical name: 2,6-dithiopurinato-bis[chlorodiphenyltin(IV)] ethanol solvate
• Formula: C31 H28 Cl2 N4 O S2 Sn2
• Calculated formula: C31 H28 Cl2 N4 O S2 Sn2
• SMILES: [Sn]1(Cl)([n]2c[nH]c3nc4[n]([Sn](Cl)(S4)(c4ccccc4)c4ccccc4)c(S1)c23)(c1ccccc1)c1ccccc1.OCC
• Title of publication: Crystal structure of 2,6-dithiopurinato-bis[chloro-diphenyltin(IV)] ethanol solvate, [(C~6~H~5~)~2~SnCl]~2~(C~5~H~2~N~4~S~2~) · C~2~H~5~OH
• Authors of publication: C.-L. Ma; Y. Shi; R.-F. Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 203 - 204
• a: 9.5259 ± 0.0018 Å
• b: 11.078 ± 0.002 Å
• c: 17.245 ± 0.003 Å
• α: 99.475 ± 0.003°
• β: 102.564 ± 0.003°
• γ: 102.145 ± 0.003°
• Cell volume: 1693.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No