Information card for entry 7202932

Structure parameters

• Formula: C20 H40 N4 O8 S8 Zn2
• Calculated formula: C20 H40 N4 O8 S8 Zn2
• SMILES: C1(N(CCO)CCO)=[S][Zn]2(S1)[S]=C(N(CCO)CCO)S[Zn]1([S]=C(N(CCO)CCO)S1)[S]=C(N(CCO)CCO)S2
• Title of publication: 3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism
• Authors of publication: Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 930
• a: 29.62 ± 0.015 Å
• b: 8.458 ± 0.004 Å
• c: 13.838 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3467 ± 3 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No