Information card for entry 1512700

Structure parameters

• Formula: C22 H22 Cu N4 O6 S
• Calculated formula: C22 H22 Cu N4 O6 S
• Title of publication: Syntheses and characterization of four 2D metal-organic networks based on rigid imidazolate/carboxylate functionalized ligand - Effect of the torsion of the ligands on crystal structures and properties
• Authors of publication: Jing-Si Yang; Jiang Zhu; Rui-Bin Liu; Jun Ni; Zhi-Duo Chang; Tao Hu; Jian-Jun Zhang; Chang-Gong Meng
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 393
• Pages of publication: 117 - 126
• a: 11.7035 ± 0.0006 Å
• b: 8.6041 ± 0.0005 Å
• c: 23.7693 ± 0.0011 Å
• α: 90°
• β: 91.709 ± 0.004°
• γ: 90°
• Cell volume: 2392.5 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1061
• 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