Information card for entry 7058942

Structure parameters

• Common name: monoaqua 2-amino-5-methyltetrazolyl trinitroresorcinato copper(II) hydrate
• Chemical name: monoaqua 2-amino-5-methyltetrazolyl trinitroresorcinato copper(II) hydrate
• Formula: C8 H10 Cu N8 O10
• Calculated formula: C8 H10 Cu N8 O10
• 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
• Journal volume: 43
• Journal issue: 46
• Pages of publication: 18193 - 18202
• a: 11.7176 ± 0.0005 Å
• b: 8.0996 ± 0.0003 Å
• c: 16.7581 ± 0.0009 Å
• α: 90°
• β: 108.825 ± 0.005°
• γ: 90°
• Cell volume: 1505.4 ± 0.13 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: 0.0414
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No