Information card for entry 8105909

Structure parameters

• Formula: C18 H18 O6 Zn
• Calculated formula: C18 H18 O6 Zn
• Title of publication: Crystal structure of diaqua-bis(cinnamato-κ2 O,O′)zinc(II), C18H18ZnO6
• Authors of publication: Kang, Jaeun; Ok, Kang Min; Do, Junghwan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 975 - 976
• a: 11.7049 ± 0.0004 Å
• b: 5.0943 ± 0.0001 Å
• c: 14.323 ± 0.0004 Å
• α: 90°
• β: 100.37 ± 0.002°
• γ: 90°
• Cell volume: 840.11 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No