Information card for entry 8105833

Structure parameters

• Common name: aquabis(3-acetyl-4-hydroxycoumarino)zinc(II) monohydrate
• Chemical name: aquabis(3-acetyl-2-oxo-2H-chromen-4-olate)zinc(II) monohydrate
• Formula: C22 H18 O10 Zn
• Calculated formula: C22 H18 O10 Zn
• Title of publication: The crystal structure of aqua-bis(3-acetyl-2-oxo-2H-chromen-4-olato-κ2 O,O′)zinc(II) monohydrate, C22H18O10Zn
• Authors of publication: Ristić, Milenko N.; Rodić, Marko V.; Radulović, Niko S.; Dekić, Biljana R.; Dekić, Vidoslav S.; Ristić, Novica R.; Gurešić, Dejan M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 729 - 731
• a: 7.9616 ± 0.0003 Å
• b: 9.5386 ± 0.0003 Å
• c: 14.2569 ± 0.0004 Å
• α: 81.713 ± 0.003°
• β: 82.724 ± 0.003°
• γ: 73.103 ± 0.003°
• Cell volume: 1021.03 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No