Information card for entry 7711557

Structure parameters

• Formula: C113 H88 F8 N48 Ni4 O27
• Calculated formula: C113 H88 F8 N48 Ni4 O27
• Title of publication: Transition metal(ii) complexes of halogenated derivatives of (E)-4-(2-(pyridin-2-ylmethylene)hydrazinyl)quinazoline: structure, antioxidant activity, DNA-binding DNA photocleavage, interaction with albumin and in silico studies
• Authors of publication: Kakoulidou, Chrisoula; Chasapis, Christos T.; Hatzidimitriou, Antonios G.; Fylaktakidou, Konstantina C.; Psomas, George
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 16.205 ± 0.006 Å
• b: 16.629 ± 0.006 Å
• c: 23.492 ± 0.007 Å
• α: 90°
• β: 104.765 ± 0.01°
• γ: 90°
• Cell volume: 6121 ± 4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• 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: 0.0742
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No