Information card for entry 1565417

Structure parameters

• Formula: C30 H32 Cl N4 Ni O3 P S
• Calculated formula: C30 H32 Cl N4 Ni O3 P S
• SMILES: [Ni]12([O]=c3c(C=[N]2N=C(S1)NCC=C)c(c[nH]c3C)CO)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].O
• Title of publication: Thiosemicarbazone ligand, nickel(II) and ruthenium(II) complexes based on vitamin B6 vitamer: The synthesis, different coordination behaviors and antioxidant activities
• Authors of publication: Bal-Demirci, Tülay; Güveli, Şükriye; Yeşilyurt, Saffet; Özdemir, Namık; Ülküseven, Bahri
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119335
• a: 10.6911 ± 0.0006 Å
• b: 11.9258 ± 0.0007 Å
• c: 13.3857 ± 0.0008 Å
• α: 67.345 ± 0.004°
• β: 74.426 ± 0.005°
• γ: 84.278 ± 0.005°
• Cell volume: 1517.15 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No