Information card for entry 7056863

Structure parameters

• Common name: [Cu(N3)(en(isopropyl)2]2
• Formula: C16 H40 Cu2 N16
• Calculated formula: C16 H40 Cu2 N16
• SMILES: [Cu]12([N]([Cu]3([N]1=N#N)(N=N#N)[NH](CC[NH]3C(C)C)C(C)C)=N#N)(N=N#N)[NH](CC[NH]2C(C)C)C(C)C
• Title of publication: Structure, magnetic properties and DFT calculations of azido-copper(ii) complexes with different azido-bonding, nuclearity and dimensionality
• Authors of publication: Massoud, Salah S.; Henary, Maher M.; Maxwell, Lindley; Martín, Alejandro; Ruiz, Eliseo; Vicente, Ramon; Fischer, Roland C.; Mautner, Franz A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 4
• Pages of publication: 2627
• a: 11.873 ± 0.001 Å
• b: 12.0334 ± 0.0011 Å
• c: 19.5852 ± 0.0014 Å
• α: 90°
• β: 107.191 ± 0.009°
• γ: 90°
• Cell volume: 2673.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0451
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No