Information card for entry 7033613

Structure parameters

• Formula: C44 H54 N4 Ni O5 S
• Calculated formula: C44 H54 N4 Ni O5 S
• Title of publication: Synthesis and characterisation of nickel Schiff base complexes containing the meso-1,2-diphenylethylenediamine moiety: selective interactions with a tetramolecular DNA quadruplex.
• Authors of publication: Davis, Kimberley J.; Richardson, Christopher; Beck, Jennifer L.; Knowles, Brett M.; Guédin, Aurore; Mergny, Jean-Louis; Willis, Anthony C.; Ralph, Stephen F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 3136 - 3150
• a: 31.9069 ± 0.0003 Å
• b: 15.0731 ± 0.0002 Å
• c: 20.8035 ± 0.0002 Å
• α: 90°
• β: 125.47 ± 0.0006°
• γ: 90°
• Cell volume: 8148.4 ± 0.17 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections: 0.1121
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No