Information card for entry 4314817

Structure parameters

• Formula: C17 H13 Cl N2 O8
• Calculated formula: C17 H13 Cl N2 O8
• SMILES: n1(c[n+](cc1)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O.Cl(=O)(=O)(=O)[O-]
• 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: 9.562 ± 0.0019 Å
• b: 10.638 ± 0.002 Å
• c: 17.505 ± 0.005 Å
• α: 90°
• β: 111 ± 0.03°
• γ: 90°
• Cell volume: 1662.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No