Information card for entry 4131932

Structure parameters

• Common name: diaqua dichlorato bis(2-methyl-5-aminotetrazolyl) copper(II)
• Chemical name: diaqua dichlorato bis(2-methyl-5-aminotetrazolyl) copper(II)
• Formula: C4 H14 Cl2 Cu N10 O8
• Calculated formula: C4 H14 Cl2 Cu N10 O8
• SMILES: c1(N)nn(C)n[n]1[Cu](OCl(=O)=O)([n]1c(nn(C)n1)N)(OCl(=O)=O)([OH2])[OH2]
• Title of publication: Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.
• Authors of publication: Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 9
• Pages of publication: 3206 - 3209
• a: 6.5617 ± 0.0003 Å
• b: 7.526 ± 0.0004 Å
• c: 9.0097 ± 0.0004 Å
• α: 111.762 ± 0.002°
• β: 98.711 ± 0.002°
• γ: 104.197 ± 0.002°
• Cell volume: 385.81 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No