Information card for entry 7704582

Structure parameters

• Formula: C42 H48 N4 Ni O4
• Calculated formula: C42 H48 N4 Ni O4
• SMILES: [Ni]123Oc4ccccc4C(=[N]2CC[N]3=C(c2ccccc2O1)c1ccccc1OCCN1CCCCC1)c1ccccc1OCCN1CCCCC1
• Title of publication: The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.
• Authors of publication: Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 30
• Pages of publication: 10360 - 10379
• a: 10.6471 ± 0.0004 Å
• b: 26.9276 ± 0.0013 Å
• c: 28.5309 ± 0.0016 Å
• α: 65.563 ± 0.005°
• β: 84.047 ± 0.004°
• γ: 83.883 ± 0.003°
• Cell volume: 7388.6 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1262
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections: 0.1945
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9802
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No