Information card for entry 7056862

Structure parameters

• Common name: [Cu2(Et3en)2(N3)4]
• Formula: C16 H40 Cu2 N16
• Calculated formula: C16 H40 Cu2 N16
• SMILES: C1C[NH]([Cu]2([N]1(CC)CC)([N](=N#N)[Cu]1([N](CC[NH]1CC)(CC)CC)([N]2=N#N)N=N#N)N=N#N)CC
• 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: 8.586 ± 0.001 Å
• b: 8.607 ± 0.001 Å
• c: 9.1858 ± 0.0012 Å
• α: 85.11 ± 0.014°
• β: 84.7 ± 0.013°
• γ: 78.652 ± 0.016°
• Cell volume: 661.15 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No