Information card for entry 8107322

Structure parameters

• Formula: C18 H20 N6 O8 Zn
• Calculated formula: C18 H20 N6 O8 Zn
• Title of publication: Crystal structure of tetraaqua-bis[4-(1H-1,2,4-triazol-1-yl)benzoato-κ1 N]zinc(II), C18H20ZnN6O8
• Authors of publication: Du, Yu-Chang; Li, Yan; Xiong, Chen; Li, Bin; Wei, Hao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1159 - 1160
• a: 6.183 ± 0.0005 Å
• b: 7.0301 ± 0.0006 Å
• c: 12.1369 ± 0.0011 Å
• α: 80.665 ± 0.001°
• β: 87.976 ± 0.002°
• γ: 72.051 ± 0.001°
• Cell volume: 495.17 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 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: 0.0664
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No