Information card for entry 7150828

Structure parameters

• Formula: C20 H30 N4 O13 Os
• Calculated formula: C20 H22 N4 O13 Os
• SMILES: [Os]12(O[C@]3(C(=O)NC(=O)N([C@H]3O1)[C@@H]1O[C@@H]([C@@H](O)C1)CO)C)(=O)(=O)[n]1c(cccc1)c1[n]2cccc1.O.O.O.O
• Title of publication: Synthesis and characterization of the 5-methyl-2′-deoxycytidine glycol‒dioxoosmium‒bipyridine ternary complex in DNA
• Authors of publication: Umemoto, Tadashi; Okamoto, Akimitsu
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 269 - 271
• a: 11.4747 ± 0.0013 Å
• b: 6.7238 ± 0.0007 Å
• c: 15.8519 ± 0.0019 Å
• α: 90°
• β: 97.2644 ± 0.0018°
• γ: 90°
• Cell volume: 1213.2 ± 0.2 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No