Information card for entry 4341604

Structure parameters

• Formula: C26 H25 Br N4 Ni O3
• Calculated formula: C26 H25 Br N4 Ni O3
• Title of publication: Interaction of Polycationic Ni(II)-Salophen Complexes with G-Quadruplex DNA.
• Authors of publication: Lecarme, Laureline; Prado, Enora; Rache, Aurore De; Nicolau-Travers, Marie-Laure; Bonnet, Romaric; Heyden, Angeline van Der; Philouze, Christian; Gomez, Dennis; Mergny, Jean-Louis; Jamet, Hélène; Defrancq, Eric; Jarjayes, Olivier; Thomas, Fabrice
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141110150525000
• a: 15.904 ± 0.003 Å
• b: 7.4771 ± 0.0015 Å
• c: 19.943 ± 0.004 Å
• α: 90°
• β: 92 ± 0.03°
• γ: 90°
• Cell volume: 2370.1 ± 0.8 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No