Information card for entry 2214052

Structure parameters

• Chemical name: Triaqua(5-methyl-1H-tetrazolato-κN^1^)zinc(II) perchlorate
• Formula: C2 H9 Cl N4 O7 Zn
• Calculated formula: C2 H9 Cl N4 O7 Zn
• SMILES: c1(C)n(nnn1)[Zn]([OH2])([OH2])[OH2].[O-]Cl(=O)(=O)=O
• Title of publication: Triaqua(5-methyl-1<i>H</i>-tetrazolato-κ<i>N</i>^1^)zinc(II) perchlorate
• Authors of publication: Fu, Dai-Wei; Zhao, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1955 - m1955
• a: 6.1055 ± 0.0005 Å
• b: 7.6413 ± 0.0006 Å
• c: 11.6547 ± 0.0009 Å
• α: 90°
• β: 101.22 ± 0.002°
• γ: 90°
• Cell volume: 533.35 ± 0.07 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes