Information card for entry 7054391

Structure parameters

• Formula: C28 H30 Cl2 N6 Ni O10 S2
• Calculated formula: C28 H30 Cl2 N6 Ni O10 S2
• SMILES: c1(cc(n2c3scc(c4ccccc4)[n]3[Ni]3([n]12)([OH2])([n]1c(cc(n1c1scc(c2ccccc2)[n]31)C)C)[OH2])C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 24.0372 ± 0.001 Å
• b: 9.6174 ± 0.0003 Å
• c: 16.0976 ± 0.0007 Å
• α: 90°
• β: 113.255 ± 0.005°
• γ: 90°
• Cell volume: 3419 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No