Information card for entry 7060623

Structure parameters

• Common name: dinitrato tris(1-cyclobutyl-5H-tetrazolyl) copper(II)
• Chemical name: dinitrato tris(1-cyclobutyl-5H-tetrazolyl) copper(II)
• Formula: C15 H24 Cu N14 O6
• Calculated formula: C15 H24 Cu N14 O6
• SMILES: [Cu](ON(=O)=O)(ON(=O)=O)([n]1nnn(C2CCC2)c1)([n]1nnn(C2CCC2)c1)[n]1nnn(c1)C1CCC1
• 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: 10.4489 ± 0.0004 Å
• b: 13.0298 ± 0.0005 Å
• c: 17.6353 ± 0.0007 Å
• α: 90°
• β: 102.235 ± 0.004°
• γ: 90°
• Cell volume: 2346.46 ± 0.16 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No