Information card for entry 7203139

Structure parameters

• Formula: C36 H54 N2 O4 P2 S4 Zn
• Calculated formula: C36 H54 N2 O4 P2 S4 Zn
• SMILES: [Zn]12([S]=P(S1)(OC1CCCCC1)OC1CCCCC1)([S]=P(S2)(OC1CCCCC1)OC1CCCCC1)[n]1ccccc1/C=C/c1ncccc1
• 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: 9.7269 ± 0.0008 Å
• b: 8.6585 ± 0.0007 Å
• c: 24.853 ± 0.002 Å
• α: 90°
• β: 100.872 ± 0.002°
• γ: 90°
• Cell volume: 2055.6 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.209
• Weighted residual factors for all reflections included in the refinement: 0.223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No