Information card for entry 7704586

Structure parameters

• Chemical name: N-(4-((1-(2-ethyl)piperidine)oxy)benzophenylidene)-N'-(naphthalidine)ethylenediaminenickel(II)
• Formula: C33 H33 N3 Ni O3
• Calculated formula: C33 H33 N3 Ni O3
• SMILES: [Ni]123Oc4ccc5c(c4C=[N]2CC[N]3=C(c2c(cc(OCCN3CCCCC3)cc2)O1)c1ccccc1)cccc5
• 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: 18.92 ± 0.0004 Å
• b: 7.61382 ± 0.00012 Å
• c: 19.7486 ± 0.0003 Å
• α: 90°
• β: 99.5135 ± 0.0016°
• γ: 90°
• Cell volume: 2805.73 ± 0.09 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No