Information card for entry 2204125

Structure parameters

• Common name: zinc
• Chemical name: Dichlorobis(1,3-dimethylthiourea-κS)zinc(II)
• Formula: C6 H16 Cl2 N4 S2 Zn
• Calculated formula: C6 H16 Cl2 N4 S2 Zn
• SMILES: C(NC)(NC)=[S][Zn](Cl)([S]=C(NC)NC)Cl
• Title of publication: Dichlorobis(1,3-dimethylthiourea-κ<i>S</i>)zinc(II)
• Authors of publication: Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1317 - m1318
• a: 13.023 ± 0.0004 Å
• b: 8.947 ± 0.0003 Å
• c: 12.435 ± 0.0003 Å
• α: 90°
• β: 106.967 ± 0.002°
• γ: 90°
• Cell volume: 1385.82 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes