Information card for entry 7714719

Structure parameters

• Formula: C10 H13 Cl N6 O4
• Calculated formula: C10 H13 Cl N6 O4
• SMILES: Cl(=O)(=O)(=O)[O-].[n+]1(ccc(N)c(N)c1)c1nccc(N)c1N
• Title of publication: Complexation of drug amifampridine with Cu(II), Zn(II) and Cd(II) ions, and its dimerization with the magic of Mn(II) salts. Potential anti-COVID-19 and anticancer activities.
• Authors of publication: Hajibabaei, Farshid; Movafagh, Samaneh Sanei; Salehzadeh, Sadegh; Gable, Robert William
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1066 - 1086
• a: 11.0259 ± 0.0007 Å
• b: 9.9993 ± 0.0006 Å
• c: 12.2385 ± 0.0009 Å
• α: 90°
• β: 104.108 ± 0.008°
• γ: 90°
• Cell volume: 1308.61 ± 0.16 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No