Information card for entry 8106660

Structure parameters

• Formula: C24 H17 N6 O4 Zn
• Calculated formula: C24 H18 N6 O4 Zn
• Title of publication: Crystal structure of catena-poly[(μ2-3-(1H-pyrazol-4-yl)-5-(pyridin-4-yl)-1,2,4-triazole-κ N:N′)-bis(benzoato-κO)zinc(II)], C24H18N6O4Zn
• Authors of publication: Yu-Fang, Wang; Tai, Jun-Hui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 5
• Pages of publication: 733 - 735
• a: 13.7579 ± 0.0008 Å
• b: 8.5684 ± 0.0006 Å
• c: 19.7973 ± 0.001 Å
• α: 90°
• β: 96.5 ± 0.006°
• γ: 90°
• Cell volume: 2318.8 ± 0.2 ų
• Cell temperature: 288.04 ± 0.15 K
• Ambient diffraction temperature: 288.04 ± 0.15 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No