Information card for entry 7060621

Structure parameters

• Common name: dinitrato di(1-cyclobutyl-5H-tetrazolyl copper(II)
• Chemical name: dinitrato di(1-cyclobutyl-5H-tetrazolyl copper(II)
• Formula: C12 H20 Cu N10 O6
• Calculated formula: C12 H20 Cu N10 O6
• Title of publication: Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles
• Authors of publication: Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 11042 - 11050
• a: 14.4782 ± 0.0013 Å
• b: 6.3738 ± 0.0003 Å
• c: 9.7644 ± 0.0005 Å
• α: 90°
• β: 92.052 ± 0.006°
• γ: 90°
• Cell volume: 900.49 ± 0.1 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No