Information card for entry 7058938

Structure parameters

• Common name: monoaqua tetrakis(1-amino-5-methyl-tetrazolyl)copper(II) trinitrophloglucinate
• Chemical name: monoaqua tetrakis(1-amino-5-methyl-tetrazolyl)copper(II) trinitrophloglucinate
• Formula: C20 H26 Cu N26 O19
• Calculated formula: C20 H26 Cu N26 O19
• 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: 6.8633 ± 0.0003 Å
• b: 16.3608 ± 0.0008 Å
• c: 32.863 ± 0.002 Å
• α: 90°
• β: 92.152 ± 0.005°
• γ: 90°
• Cell volume: 3687.6 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.1028
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No