Information card for entry 7219948

Structure parameters

• Formula: C19 H24 Fe N9 O4 S2
• Calculated formula: C19 H24 Fe N9 O4 S2
• SMILES: [Fe]1234(SC(=N[N]2=C(c2[n]1cccc2)C)N)SC(=N[N]4=C(c1[n]3cccc1)C)N.N(=O)(=O)[O-].O=C(C)C
• Title of publication: Significant photocytotoxic effect of an iron(III) complex of a Schiff base ligand derived from vitamin B6 and thiosemicarbazide in visible light
• Authors of publication: Hussain, Akhtar; Sarkar, Tukki; Banerjee, Samya
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.629 ± 0.005 Å
• b: 10.871 ± 0.005 Å
• c: 11.758 ± 0.005 Å
• α: 87.529 ± 0.005°
• β: 86.832 ± 0.005°
• γ: 89.597 ± 0.005°
• Cell volume: 1227.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No