Information card for entry 2016972

Structure parameters

• Chemical name: bis(acetato-κ^2^O,O')diaquazinc(II)
• Formula: C4 H10 O6 Zn
• Calculated formula: C4 H10 O6 Zn
• SMILES: C1(C)=[O][Zn]2(O1)([OH2])([OH2])[O]=C(C)O2
• Title of publication: Directed anisotropy in bis(acetato-κ^2^<i>O</i>,<i>O</i>')diaquazinc(II) at 110 and 250K
• Authors of publication: Lutz, Martin; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m69 - m74
• a: 14.2904 ± 0.0005 Å
• b: 5.34245 ± 0.00011 Å
• c: 10.9616 ± 0.0002 Å
• α: 90°
• β: 99.59 ± 0.001°
• γ: 90°
• Cell volume: 825.18 ± 0.04 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes