Information card for entry 4505014

Structure parameters

• Formula: C32 H44 Cl2 Cu2 N10 O14
• Calculated formula: C32 H44 Cl2 Cu2 N10 O14
• SMILES: c1cccc2C3N(C(C(N=3=O)(C)C)(C)C)O[Cu]34([n]12)[N](=C1C(=[N]2[Cu]5(O1)([n]1ccccc1C1N(C(C(N=1=O)(C)C)(C)C)O5)[NH2]CCC2)O4)CCC[NH2]3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Oxamido-Bridged Bimetallic Complexes Involving Nitronyl Nitroxide Radical Ligands: Crystal Structure and Magnetic Behavior
• Authors of publication: Liu, Zhi-Liang; Li,; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 783
• a: 7.6994 ± 0.0001 Å
• b: 12.4931 ± 0.0003 Å
• c: 22.1419 ± 0.0004 Å
• α: 90°
• β: 95.821 ± 0.001°
• γ: 90°
• Cell volume: 2118.83 ± 0.07 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: 0.0861
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No