Information card for entry 7714718

Structure parameters

• Formula: C10 H14 Cl2 N6 Zn
• Calculated formula: C10 H14 Cl2 N6 Zn
• SMILES: [Zn](Cl)(Cl)([n]1cc(N)c(N)cc1)[n]1cc(N)c(N)cc1
• 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: 7.5911 ± 0.0015 Å
• b: 8.0921 ± 0.0016 Å
• c: 11.88 ± 0.002 Å
• α: 77.36 ± 0.03°
• β: 80.01 ± 0.03°
• γ: 86.56 ± 0.03°
• Cell volume: 701.1 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71092 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No