Information card for entry 2012765

Structure parameters

• Formula: C4 H14 Cl2 N6 S2 Zn
• Calculated formula: C4 H14 Cl2 N6 S2 Zn
• SMILES: [Zn]12(Cl)([NH2]NC(SC)=[NH]1)[NH2]NC(SC)=[NH]2.[Cl-]
• Title of publication: Transition metal complexes with thiosemicarbazide-based ligands. XLIII. Chlorobis(3-methylisothiosemicarbazide-κ^2^<i>N</i>^1^,<i>N</i>^4^)zinc(II) chloride
• Authors of publication: Novaković, Sladjana B.; Tomić, Zoran D.; Jevtović, Violeta; Leovac, Vukadin M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: m358 - m360
• a: 9.402 ± 0.002 Å
• b: 10.121 ± 0.003 Å
• c: 13.71 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1304.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes