Information card for entry 7028733

Structure parameters

• Formula: C16 H36 Cl2 Mn2 N6 O16
• Calculated formula: C16 H36 Cl2 Mn2 N6 O16
• SMILES: C1C[NH]2CC[NH]3CC[N]41CC(=O)O[Mn]15234O[Mn]2345([N]5(CC[NH]3CC[NH]2CC5)CC(=O)O4)O1.[O-]Cl(=O)(=O)=O.O.[O-]Cl(=O)(=O)=O.O
• Title of publication: Efficient single-strand cleavage of DNA mediated by a Mn(III)Mn(IV)-based artificial nuclease.
• Authors of publication: Qian, Jing; Yu, Shasha; Wang, Wenjun; Wang, Liping; Tian, Jinlei; Yan, Shiping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 6
• Pages of publication: 2646 - 2655
• a: 9.5479 ± 0.0019 Å
• b: 13.594 ± 0.003 Å
• c: 11.132 ± 0.002 Å
• α: 90°
• β: 105.943 ± 0.002°
• γ: 90°
• Cell volume: 1389.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No