Information card for entry 4318314

Structure parameters

• Formula: C50 H65 Cl11 N6 O14 Zn3
• Calculated formula: C50 Cl11 N6 O14 Zn3
• SMILES: [Zn]1234[O]5[Zn]67[O]8[Zn]9%10([O]1c1c%11C[NH]4[C@H]4[C@H]([NH]3Cc3c5c(cc(c3)C)C[NH]7[C@H]3[C@H]([NH]6Cc5c8c(C[NH]%10[C@H]6[C@H]([NH]9Cc1cc(c%11)C)CCCC6)cc(c5)C)CCCC3)CCCC4)OC(=[O]2)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.O
• Title of publication: Synthesis, Structure, and DNA Cleavage Activity of New Trinuclear Zn3 and Zn2Cu Complexes of a Chiral Macrocycle: Structural Correlation with the Active Center of P1 Nuclease
• Authors of publication: Srinivas R. Korupoju; Nagarathinam Mangayarkarasi; Panthapally S. Zacharias; Jun Mizuthani; Hiroshi Nishihara
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4099 - 4101
• a: 9.9732 ± 0.0005 Å
• b: 17.1315 ± 0.0002 Å
• c: 37.4953 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6406.3 ± 0.3 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.577
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No