Information card for entry 7203140

Structure parameters

• Formula: C36 H66 N2 O8 P4 S8 Zn2
• Calculated formula: C36 H66 N2 O8 P4 S8 Zn2
• SMILES: C(C)(C)OP1(OC(C)C)=[S][Zn]([n]2c(/C=C/c3[n]([Zn]4([S]=P(OC(C)C)(OC(C)C)S4)SP(OC(C)C)(OC(C)C)=S)cccc3)cccc2)(S1)SP(=S)(OC(C)C)OC(C)C
• Title of publication: Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs
• Authors of publication: Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 51
• a: 7.8735 ± 0.0008 Å
• b: 17.7046 ± 0.0015 Å
• c: 20.0325 ± 0.0019 Å
• α: 90°
• β: 90.638 ± 0.002°
• γ: 90°
• Cell volume: 2792.3 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.079
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No