Information card for entry 7054390

Structure parameters

• Formula: C14 H13 Cl2 Co N3 S
• Calculated formula: C14 H13 Cl2 Co N3 S
• SMILES: [Co]1(Cl)(Cl)[n]2c(C)cc(C)n2c2scc([n]12)c1ccccc1
• Title of publication: Co(ii), Ni(ii) and Cu(ii) complexes with phenylthiazole and thiosemicarbazone-derived ligands: synthesis, structure and cytotoxic effects
• Authors of publication: Sobiesiak, Marta; Muzioł, Tadeusz; Rozalski, Marek; Krajewska, Urszula; Budzisz, Elzbieta
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 11
• Pages of publication: 5349
• a: 8.9069 ± 0.0004 Å
• b: 14.7753 ± 0.0006 Å
• c: 12.3744 ± 0.0005 Å
• α: 90°
• β: 102.793 ± 0.004°
• γ: 90°
• Cell volume: 1588.07 ± 0.12 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No