Information card for entry 1565030

Structure parameters

• Formula: C83.2 H50.4 Cl2.4 N16 Ni2 O15 S4
• Calculated formula: C83.2 H50.4 Cl2.4 N16 Ni2 O15 S4
• 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: 14.693 ± 0.006 Å
• b: 17.49 ± 0.006 Å
• c: 19.624 ± 0.007 Å
• α: 104.87 ± 0.007°
• β: 110.869 ± 0.007°
• γ: 99.906 ± 0.008°
• Cell volume: 4356 ± 3 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: 0.1774
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2355
• Weighted residual factors for all reflections included in the refinement: 0.2922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No