Information card for entry 7058948

Structure parameters

• Common name: bis(1-amino-5-methyltetrazolyl)copper(II) di(3,5-dihydroxy-2,4,6-trinitrophenolate)
• Chemical name: bis(1-amino-5-methyltetrazolyl)copper(II) di(3,5-dihydroxy-2,4,6-trinitrophenolate)
• Formula: C16 H14 Cu N16 O18
• Calculated formula: C16 H14 Cu N16 O18
• Title of publication: Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions
• Authors of publication: Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• a: 8.0087 ± 0.0009 Å
• b: 8.7623 ± 0.001 Å
• c: 11.2661 ± 0.0009 Å
• α: 69.572 ± 0.009°
• β: 78.715 ± 0.008°
• γ: 64.89 ± 0.011°
• Cell volume: 669.8 ± 0.14 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No