Information card for entry 7716331

Structure parameters

• Chemical name: [Cu(MePBITA)]2ClO4
• Formula: C20.8 H19.2 Cl1.6 Cu0.8 N4.8 O6.4
• Calculated formula: C20.8 H19.2 Cl1.6 Cu0.8 N4.8 O6.4
• Title of publication: Mononuclear copper(II) complexes with polypyridyl ligands: synthesis, characterization, DNA interactions/cleavages and <i>in vitro</i> cytotoxicity towards human cancer cells.
• Authors of publication: Muley, Arabinda; Kumbhakar, Sadananda; Raut, Rajnikant; Mathur, Shobhit; Roy, Indrajit; Saini, Taruna; Misra, Ashish; Maji, Somnath
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 28
• Pages of publication: 11697 - 11712
• a: 15.9793 ± 0.0004 Å
• b: 9.6309 ± 0.0002 Å
• c: 18.7031 ± 0.0004 Å
• α: 90°
• β: 97.713 ± 0.002°
• γ: 90°
• Cell volume: 2852.27 ± 0.11 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No