Information card for entry 8106894

Structure parameters

• Chemical name: catena[diaqua-(bis(μ~2~-1,3-bis((1<i>H</i>tetrazol-1-yl) methyl)benzene-κ^2^<i>N</i>:<i>N</i>')copper(II)] dinitrate
• Formula: C20 H24 Cu N18 O8
• Calculated formula: C20 H24 Cu N18 O8
• Title of publication: Crystal structure of catena[diaqua-bis(μ 2-1,3-bis((1H-tetrazol-1-yl)methyl)benzene-κ2 N:N′)copper(II)] dinitrate, C20H24CuN18O8
• Authors of publication: Yang, Zhi-Jun; Ni, Tian-Jun; He, Guang-Jie
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 419 - 421
• a: 8.033 ± 0.004 Å
• b: 9.641 ± 0.005 Å
• c: 10.724 ± 0.005 Å
• α: 77.318 ± 0.005°
• β: 68.181 ± 0.005°
• γ: 69.813 ± 0.005°
• Cell volume: 719.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No