Information card for entry 1565029

Structure parameters

• Formula: C166.5 H108.5 Cl7.5 Co4 N32 O31 S8
• Calculated formula: C166.5 H108.5 Cl7.5 Co4 N32 O31 S8
• Title of publication: Ternary Co(II), Ni(II) and Cu(II) complexes containing dipyridophenazine and saccharin: Structures, reactivity, binding interactions with biomolecules and DNA damage activity
• Authors of publication: Kumar, Priyaranjan; Butcher, Ray J.; Patra, Ashis K.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 506
• Pages of publication: 119532
• a: 14.773 ± 0.0012 Å
• b: 17.2762 ± 0.0013 Å
• c: 20.161 ± 0.0015 Å
• α: 105.642 ± 0.002°
• β: 111.259 ± 0.002°
• γ: 99.041 ± 0.002°
• Cell volume: 4427.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1667
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.22
• Weighted residual factors for all reflections included in the refinement: 0.2589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No