Information card for entry 7035402

Structure parameters

• Formula: C20 H30 N4 Ni O S
• Calculated formula: C20 H30 N4 Ni O S
• SMILES: [Ni]123[N](=C(C(=[N]3N=C(S1)NC)C)C)c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C
• Title of publication: Nickel(ii) radical complexes of thiosemicarbazone ligands appended by salicylidene, aminophenol and aminothiophenol moieties.
• Authors of publication: Kochem, Amélie; Gellon, Gisèle; Jarjayes, Olivier; Philouze, Christian; du Moulinet d'Hardemare, Amaury; van Gastel, Maurice; Thomas, Fabrice
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12743 - 12756
• a: 28.625 ± 0.006 Å
• b: 8.7282 ± 0.0012 Å
• c: 17.707 ± 0.004 Å
• α: 90°
• β: 97.69 ± 0.017°
• γ: 90°
• Cell volume: 4384.2 ± 1.5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.064
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No