Information card for entry 4311756

Structure parameters

• Formula: C30 H36 Cl2 Cu2 N10 O14
• Calculated formula: C30 H44 Cl2 Cu2 N10 O14
• SMILES: [N]12[Cu]([NH2]CC1)([n]1ccc(cc1)C1=N(C(C(C)([N]1=O)C)(C)C)=O)OC1C=2O[Cu]2([N]=1CC[NH2]2)[n]1ccc(cc1)C1=N(C(C(C)([N]1=O)C)(C)C)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: New Types of Heterospin Complexes from trans-Oxamido-Bridged Copper(II) Binuclear Units and Nitronyl Nitroxide Radicals: Crystal Structure and Magnetic Characterization
• Authors of publication: Zhiliang Liu; Zhengliang Lü; Deqing Zhang; Zonghui Jiang; Licun Li; Caiming Liu; Daoben Zhu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6620 - 6627
• a: 14.896 ± 0.003 Å
• b: 10.915 ± 0.002 Å
• c: 12.452 ± 0.002 Å
• α: 90°
• β: 102.06 ± 0.03°
• γ: 90°
• Cell volume: 1979.9 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No