Information card for entry 7151156

Structure parameters

• Formula: C22 H17 Cu N5 O6
• Calculated formula: C22 H17 Cu N5 O6
• Title of publication: The importance of metal geometry in the recognition of G-quadruplex-DNA by metal-terpyridine complexes
• Authors of publication: Bertrand, Hélène; Monchaud, David; De Cian, Anne; Guillot, Régis; Mergny, Jean-Louis; Teulade-Fichou, Marie-Paule
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 16
• Pages of publication: 2555
• a: 12.996 ± 0.002 Å
• b: 9.9631 ± 0.0015 Å
• c: 17.8565 ± 0.0018 Å
• α: 90°
• β: 116.763 ± 0.008°
• γ: 90°
• Cell volume: 2064.4 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No