Information card for entry 4342748

Structure parameters

• Common name: Iron-pyridoxal complex
• Formula: C33 H29 F6 Fe N5 O3 P
• Calculated formula: C33 H29 F6 Fe N5 O3 P
• SMILES: [Fe]1234([N](Cc5ccccc5)(Cc5[n]2cccc5)Cc2[n]1cccc2)[N](c1c(O3)cccc1)=C1OCc2cnc(c(O4)c12)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Iron(III) Complexes of a Pyridoxal Schiff Base for Enhanced Cellular Uptake with Selectivity and Remarkable Photocytotoxicity.
• Authors of publication: Basu, Uttara; Pant, Ila; Hussain, Akhtar; Kondaiah, Paturu; Chakravarty, Akhil R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 3748 - 3758
• a: 10.357 ± 0.002 Å
• b: 11.44 ± 0.003 Å
• c: 14.297 ± 0.004 Å
• α: 99.748 ± 0.011°
• β: 95.099 ± 0.011°
• γ: 101.668 ± 0.01°
• Cell volume: 1621.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No