Information card for entry 2017504

Structure parameters

• Chemical name: poly[[bis(μ~2~-5-aminomethyl-1<i>H</i>-tetrazolido- κ^3^<i>N</i>^1^,<i>N</i>5:<i>N</i>^4^)copper(II)] dihydrate]
• Formula: C4 H12 Cu N10 O2
• Calculated formula: C4 H12 Cu N10 O2
• Title of publication: A tetrazol-5-yl analogue of glycine, 5-ammoniomethyl-1<i>H</i>-tetrazolide, and its copper(II) complex
• Authors of publication: Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m22 - m25
• a: 7.0452 ± 0.0018 Å
• b: 8.907 ± 0.002 Å
• c: 9.059 ± 0.002 Å
• α: 90°
• β: 107.8 ± 0.02°
• γ: 90°
• Cell volume: 541.3 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0298
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes