Information card for entry 4500904

Structure parameters

• Formula: C11 H13 Cu N2 O6
• Calculated formula: C11 H13 Cu N2 O6
• Title of publication: Three-Dimensional Robust Porous Coordination Polymer with Schiff Base Site on the Pore Wall: Synthesis, Single-Crystal-to-Single-Crystal Reversibility, and Selective CO2Adsorption
• Authors of publication: Dey, Rajdip; Haldar, Ritesh; Maji, Tapas Kumar; Ghoshal, Debajyoti
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 3905
• a: 27.6739 ± 0.0015 Å
• b: 13.1598 ± 0.0006 Å
• c: 8.6462 ± 0.0004 Å
• α: 90°
• β: 95.435 ± 0.003°
• γ: 90°
• Cell volume: 3134.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No