Information card for entry 2218331

Structure parameters

• Chemical name: Bis(<i>S</i>-benzylisothiouronium) tetrachloridozincate(II)
• Formula: C16 H22 Cl4 N4 S2 Zn
• Calculated formula: C16 H22 Cl4 N4 S2 Zn
• SMILES: S(Cc1ccccc1)C(=[NH2+])N.S(Cc1ccccc1)C(=[NH2+])N.Cl[Zn](Cl)([Cl-])[Cl-]
• Title of publication: Bis(<i>S</i>-benzylisothiouronium) tetrachloridozincate(II)
• Authors of publication: Gayathri, D.; Velmurugan, D.; Hemalatha, P.; Veeravazhuthi, V.; Ravikumar, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m848 - m849
• a: 15.2135 ± 0.0011 Å
• b: 6.4475 ± 0.0005 Å
• c: 23.9277 ± 0.0018 Å
• α: 90°
• β: 95.368 ± 0.001°
• γ: 90°
• Cell volume: 2336.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0322
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes