Information card for entry 7060629

Structure parameters

• Common name: hexakis(1-cyclopropyl-5H-tetrazolyl)copper(II) dichlorate
• Chemical name: hexakis(1-cyclopropyl-5H-tetrazolyl)copper(II) dichlorate
• Formula: C24 H36 Cl2 Cu N24 O6
• Calculated formula: C24 H36 Cl2 Cu N24 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: 10.9182 ± 0.001 Å
• b: 10.9182 ± 0.001 Å
• c: 28.166 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2907.8 ± 0.5 ų
• Cell temperature: 127 ± 2 K
• Ambient diffraction temperature: 127 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0797
• 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