Information card for entry 2203474

Structure parameters

• Chemical name: catena-Poly[[[aquazinc(II)]-μ-2,2'-dithiodibenzoato] bis(N,N-dimethylformamide)]
• Formula: C20 H24 N2 O7 S2 Zn
• Calculated formula: C20 H24 N2 O7 S2 Zn
• SMILES: [Zn]123([OH2])[O]=C(c4c(SSc5ccccc5C(=O)[O-])cccc4)O[Zn]4([OH2])([O]=C(O3)c3c(SSc5ccccc5C(=O)[O-])cccc3)[O]=C(O1)c1c(cccc1)SSc1ccccc1C1=[O][Zn]([OH2])OC(=[O][Zn]([OH2])O1)c1c(SSc3ccccc3C(O2)=[O]4)cccc1.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: <i>catena</i>-Poly[[[aquazinc(II)]-μ-2,2'-dithiodibenzoato] bis(<i>N</i>,<i>N</i>-dimethylformamide)]
• Authors of publication: Wang, Shun; Hu Mao-Lin; Chen, Fan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m413 - m415
• a: 11.0956 ± 0.0004 Å
• b: 17.2715 ± 0.0007 Å
• c: 12.24 ± 0.0005 Å
• α: 90°
• β: 95.695 ± 0.002°
• γ: 90°
• Cell volume: 2334.07 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes