Information card for entry 7716330

Structure parameters

• Chemical name: Cu(PBITA(ClO4)2
• Formula: C51 H45 Cl7 Cu2 N12 O16
• Calculated formula: C51 H45 Cl7 Cu2 N12 O16
• 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: 11.8527 ± 0.0009 Å
• b: 15.5029 ± 0.0012 Å
• c: 16.7785 ± 0.0012 Å
• α: 90.574 ± 0.003°
• β: 104.148 ± 0.002°
• γ: 94.183 ± 0.003°
• Cell volume: 2980.4 ± 0.4 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1826
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No