Information card for entry 7107338

Structure parameters

• Formula: C16 H33 Cl2 Cu N3 O4
• Calculated formula: C16 H33 Cl2 Cu N3 O4
• SMILES: ClCCl.O(C(=O)C)[Cu]12([NH]3CCC[N]1(CCC[NH]2CCC3)CC)OC(=O)C
• Title of publication: When two metal centres are needed instead of one: exclusive induction of Z-DNA by dinuclear metal complexes
• Authors of publication: Alfredo Medina-Molner; Bernhard Spingler
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1961
• a: 11.898 ± 0.005 Å
• b: 14.067 ± 0.005 Å
• c: 13.146 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.368 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2200.2 ± 1.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No