Information card for entry 4505013

Structure parameters

• Formula: C32 H52 Cl2 Cu2 N10 O16
• Calculated formula: C32 H52 Cl2 Cu2 N10 O16
• SMILES: C1C[NH2][Cu]2([N](C1)=C1C(O2)=[N]2[Cu]([NH2]CCC2)([n]2ccc(cc2)C2=N(=O)C(C([N]2=O)(C)C)(C)C)O1)[n]1ccc(cc1)C1=N(=O)C(C([N]1=O)(C)C)(C)C.[O-]Cl(=O)(=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: 13.8503 ± 0.0016 Å
• b: 12.4517 ± 0.0014 Å
• c: 14.106 ± 0.0017 Å
• α: 90°
• β: 119.247 ± 0.002°
• γ: 90°
• Cell volume: 2122.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No