Information card for entry 4306792

Structure parameters

• Formula: C43 H49.5 F N4 Ni O4
• Calculated formula: C43 H49.5 F N4 Ni O4
• Title of publication: Effects of Metal Coordination Geometry on Stabilization of Human Telomeric Quadruplex DNA by Square-Planar and Square-Pyramidal Metal Complexes
• Authors of publication: Anna Arola-Arnal; Jordi Benet-Buchholz; Stephen Neidle; Ramón Vilar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11910 - 11919
• a: 26.765 ± 0.004 Å
• b: 31.067 ± 0.004 Å
• c: 9.5837 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7968.9 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2387
• Weighted residual factors for all reflections included in the refinement: 0.2681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No