Information card for entry 7718818

Structure parameters

• Formula: C72 H71 B N8 Ni2 O6
• Calculated formula: C72 H71 B N8 Ni2 O6
• Title of publication: Modelling the binding of cytotoxic dinuclear nickel complexes to two neighboring phosphate esters of DNA using dicarboxylate ligands.
• Authors of publication: Riediger, Thomas; Böhm, Maximilian; Kapiza, Michael; Stammler, Anja; Oldengott, Jan; Glaser, Thorsten
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 25
• Pages of publication: 9984 - 9991
• a: 18.6047 ± 0.0011 Å
• b: 24.1873 ± 0.0015 Å
• c: 14.9384 ± 0.0009 Å
• α: 90°
• β: 113.012 ± 0.002°
• γ: 90°
• Cell volume: 6187.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No