Information card for entry 4314818

Structure parameters

• Formula: C17 H13 Cl4 Fe N2 O4
• Calculated formula: C17 H13 Cl4 Fe N2 O4
• SMILES: c1n(cc[n+]1c1cccc(c1)C(=O)O)c1cccc(c1)C(=O)O.[Cl-][Fe](Cl)(Cl)Cl
• 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: 14.693 ± 0.003 Å
• b: 19.809 ± 0.004 Å
• c: 7.357 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2141.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2239
• Weighted residual factors for all reflections included in the refinement: 0.2249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No