Information card for entry 7103061

Structure parameters

• Formula: C10 H12 O4 Zn
• Calculated formula: C10 H12 O4 Zn
• Title of publication: A new enantiopure unsaturated dicarboxylate as a 4-connected unit in a flexible homochiral PtS-type framework.
• Authors of publication: Zhang, Jian; Bu, Xianhui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 15
• Pages of publication: 1756 - 1758
• a: 13.215 ± 0.001 Å
• b: 13.215 ± 0.001 Å
• c: 12.8435 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2242.9 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No