Information card for entry 8107237

Structure parameters

• Chemical name: tetraaquabis[4-(1H-1,2,4-triazol-1-yl)benzoato]-cadmium
• Formula: C18 H20 Cd N6 O8
• Calculated formula: C18 H20 Cd N6 O8
• Title of publication: Crystal structure of tetraaqua-bis[4-(1H-1,2,4-triazol-1-yl)benzoato-k1 N]cadmium(II), C18H20CdN6O8
• Authors of publication: Feng, Yi-Min; Xia, Yu-Pei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 865 - 866
• a: 6.1132 ± 0.0007 Å
• b: 7.127 ± 0.0009 Å
• c: 12.311 ± 0.0013 Å
• α: 80.701 ± 0.001°
• β: 88.137 ± 0.002°
• γ: 73.653 ± 0.001°
• Cell volume: 507.88 ± 0.1 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: 0.0292
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No