Information card for entry 8107287

Structure parameters

• Formula: C14 H12 N6 O6 Zn
• Calculated formula: C14 H12 N6 O6 Zn
• Title of publication: The crystal structure of diaqua-bis(pyrazolo[1,5-a]-pyrimidine-3-carboxylato-κ2 N,O)zinc(II), C14H12N6O6Zn
• Authors of publication: Kong, Yang; Wang, Chang-Zhao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1041 - 1042
• a: 7.0347 ± 0.0006 Å
• b: 12.8467 ± 0.0007 Å
• c: 9.0017 ± 0.0006 Å
• α: 90°
• β: 112.525 ± 0.009°
• γ: 90°
• Cell volume: 751.45 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No