Information card for entry 2013378

Structure parameters

• Common name: Diaqua bis(dimethylsulfoxide-O) bis(3,5-dinitrobenzoato-O)zinc(II)
• Chemical name: Bisaquabis(dimethylsulfoxide)bis(3,5-dinitrobenzoato)zinc(II)
• Formula: C18 H22 N4 O16 S2 Zn
• Calculated formula: C18 H22 N4 O16 S2 Zn
• SMILES: c1(cc(cc(c1)N(=O)=O)N(=O)=O)C(=O)O[Zn]([OH2])([O]=S(C)C)([OH2])([O]=S(C)C)OC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O
• Title of publication: Diaquabis(dimethyl sulfoxide)bis(3,5-dinitrobenzoato)zinc(II) and the synthesis of the Cu, Ni and Co analogs
• Authors of publication: Miminoshvili, Elguja B.; Sobolev, Alexandre N.; Sakvarelidze, Tamara N.; Miminoshvili, Ketevan E.; Kutelia, Elguja R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m118 - m120
• a: 10.479 ± 0.002 Å
• b: 5.296 ± 0.001 Å
• c: 22.686 ± 0.005 Å
• α: 90°
• β: 91.96 ± 0.03°
• γ: 90°
• Cell volume: 1258.3 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0373
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes