Information card for entry 4332660

Structure parameters

• Formula: C24 H32 Cu2 N18 O2
• Calculated formula: C24 H32 Cu2 N18 O2
• SMILES: c1cccc2[n]1[Cu]1([N]3=C2[N](=O)C(C3(C)C)(C)C)([N](=N#N)[Cu]2([n]3ccccc3C3=[N]2C(C)(C)C([N]3=O)(C)C)([N]1=N#N)N=N#N)N=N#N
• Title of publication: An Unprecedented Asymmetric End-On Azido-Bridged Copper(II) Imino Nitroxide Complex: Structure, Magnetic Properties, and Density Functional Theory Analysis
• Authors of publication: Li, Licun; Liao, Daizheng; Jiang, Zonghui; Mouesca, Jean-Marie; Rey, Paul
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 7665 - 7670
• a: 10.9638 ± 0.0015 Å
• b: 19.811 ± 0.003 Å
• c: 7.2993 ± 0.001 Å
• α: 90°
• β: 103.571 ± 0.003°
• γ: 90°
• Cell volume: 1541.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0849
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No