Information card for entry 4314815

Structure parameters

• Formula: C19.75 H16.75 N3.25 O7.25 Zn
• Calculated formula: C19.75 H16.75 N3.25 O7.25 Zn
• Title of publication: Synthesis of a Zinc(II) Imidazolium Dicarboxylate Ligand Metal-Organic Framework (MOF): a Potential Precursor to MOF-Tethered N-Heterocyclic Carbene Compounds
• Authors of publication: Rachel S. Crees; Marcus L. Cole; Lyall R. Hanton; Christopher J. Sumby
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1712 - 1719
• a: 20.796 ± 0.004 Å
• b: 18.019 ± 0.004 Å
• c: 10.943 ± 0.002 Å
• α: 90°
• β: 91.907 ± 0.008°
• γ: 90°
• Cell volume: 4098.3 ± 1.4 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No