Information card for entry 4322489

Structure parameters

• Formula: C19 H34 Cl2 Cu2 N4 O11
• Calculated formula: C19 H34 Cl2 Cu2 N4 O11
• SMILES: [Cu]123[OH][Cu]45([N](=Cc7c([O]34)c(cc(c7)C)C=[N]1CCC[N]2(C)C)CCC[N]5(C)C)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: 1H NMR Studies on Strongly Antiferromagnetically Coupled Dicopper(II) Systems
• Authors of publication: Anbanandam Asokan; Periakaruppan T. Manoharan
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5642 - 5654
• a: 12.4723 ± 0.0015 Å
• b: 19.554 ± 0.002 Å
• c: 12.1846 ± 0.0012 Å
• α: 90°
• β: 107.484 ± 0.009°
• γ: 90°
• Cell volume: 2834.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections: 0.1682
• Weighted residual factors for significantly intense reflections: 0.1595
• Goodness-of-fit parameter for all reflections: 1.001
• Goodness-of-fit parameter for significantly intense reflections: 0.992
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No