Information card for entry 7101658

Structure parameters

• Chemical name: bis(N,N-diethylethylenediamine)copper(II) nitrate
• Formula: C12 H32 Cu N6 O6
• Calculated formula: C12 H32 Cu N6 O6
• SMILES: N(=O)(=O)[O-].[Cu]12([N](CC[NH2]1)(CC)CC)[N](CC[NH2]2)(CC)CC.N(=O)(=O)[O-]
• Title of publication: Increased crystal porosity and enhanced gas adsorption by intracolumnar gliding for broadband gas detection.
• Authors of publication: Naumov, Pance; Sakurai, Kenji; Nukui, Akihiko; Tanaka, Masahiko
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 4
• Pages of publication: 347 - 349
• a: 8.1864 ± 0.001 Å
• b: 12.6438 ± 0.0016 Å
• c: 9.6767 ± 0.0012 Å
• α: 90°
• β: 105.942 ± 0.002°
• γ: 90°
• Cell volume: 963.1 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No