Information card for entry 1565027

Structure parameters

• Formula: C87 H53 Cl5 N18 Ni2 O16 S2
• Calculated formula: C87 H53 Cl5 N18 Ni2 O16 S2
• 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: 22.077 ± 0.001 Å
• b: 20.8561 ± 0.0009 Å
• c: 20.2911 ± 0.001 Å
• α: 90°
• β: 114.033 ± 0.001°
• γ: 90°
• Cell volume: 8532.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No