Information card for entry 7709350

Structure parameters

• Formula: C60 H63 Cl2 N10 Ni2 O14 P
• Calculated formula: C60 H63 Cl2 N10 Ni2 O14 P
• Title of publication: Evaluation of the Binding Mode of a Cytotoxic Dinuclear Nickel Complex to two Neighboring Phosphates of the DNA Backbone
• Authors of publication: Simon, Jasmin; Horstmann, Claudia; Mix, Andreas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 46.05 ± 0.002 Å
• b: 11.391 ± 0.0005 Å
• c: 28.5228 ± 0.0013 Å
• α: 90°
• β: 125.491 ± 0.002°
• γ: 90°
• Cell volume: 12182 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No