Information card for entry 7710686

Structure parameters

• Formula: C16 H24 N3 Ni0.5 O6
• Calculated formula: C16 H24 N3 Ni0.5 O6
• Title of publication: Water Soluble Transition metal [Ni(II), Cu(II) and Zn(II)] Complexes of N–Phthaloylglycinate bis(diaminocyclohexane). DNA Binding, pBR322 Cleavage and Cytotoxicity
• Authors of publication: Khursheed, Salman; Siddique, Hifzur R.; Tabassum, Sartaj; Arjmand, Farukh
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.34116 ± 0.00007 Å
• b: 8.80306 ± 0.00008 Å
• c: 14.56151 ± 0.00012 Å
• α: 84.4454 ± 0.0007°
• β: 79.6175 ± 0.0007°
• γ: 89.0041 ± 0.0008°
• Cell volume: 921.279 ± 0.015 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0632
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.163
• 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