Information card for entry 4345475

Structure parameters

• Formula: C12 H14 Cu N2 O10 S
• Calculated formula: C12 H14 Cu N2 O10 S
• Title of publication: Sulfonic Group Functionalized Mixed Ligand Coordination Polymers: Synthesis, Characterization, Water Sorption, and Proton Conduction Studies.
• Authors of publication: Maity, Dilip Kumar; Otake, Kenichi; Ghosh, Saheli; Kitagawa, Hiroshi; Ghoshal, Debajyoti
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1581 - 1590
• a: 11.728 ± 0.005 Å
• b: 6.853 ± 0.005 Å
• c: 20.166 ± 0.005 Å
• α: 90 ± 0.005°
• β: 92.328 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1619.4 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No