Information card for entry 7709348

Structure parameters

• Formula: C46 H60.5 Cl2 N6 Ni2 O16.75 P
• Calculated formula: C46 H60.5 Cl2 N6 Ni2 O16.75 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: 15.059 ± 0.0016 Å
• b: 15.3717 ± 0.0016 Å
• c: 22.448 ± 0.002 Å
• α: 90°
• β: 93.002 ± 0.005°
• γ: 90°
• Cell volume: 5189.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No