Information card for entry 4342336

Structure parameters

• Formula: C46 H68.5 Cu2 N7 O15.75
• Calculated formula: C46 H49 Cu2 N7 O15.75
• Title of publication: Rational design of a cytotoxic dinuclear cu2 complex that binds by molecular recognition at two neighboring phosphates of the DNA backbone.
• Authors of publication: Jany, Thomas; Moreth, Alexander; Gruschka, Claudia; Sischka, Andy; Spiering, Andre; Dieding, Mareike; Wang, Ying; Samo, Susan Haji; Stammler, Anja; Bögge, Hartmut; Fischer von Mollard, Gabriele; Anselmetti, Dario; Glaser, Thorsten
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2679 - 2690
• a: 10.9107 ± 0.0016 Å
• b: 15.793 ± 0.002 Å
• c: 31.758 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5472.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No