Information card for entry 7202934

Structure parameters

• Formula: C17 H36 N4 O5 S8 Zn2
• Calculated formula: C17 H36 N4 O5 S8 Zn2
• SMILES: [Zn]123([S]=C(S1)N(CCO)C)[S]=C([S]2[Zn]12([S]=C(S1)N(CCO)C)[S]=C([S]32)N(CCO)C)N(CCO)C.OC
• 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: 10.47 ± 0.004 Å
• b: 12.345 ± 0.006 Å
• c: 12.615 ± 0.006 Å
• α: 95.483 ± 0.013°
• β: 96.282 ± 0.01°
• γ: 100.576 ± 0.011°
• Cell volume: 1582 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No