Information card for entry 7028849

Structure parameters

• Formula: C12 H13 Cu N2 O5
• Calculated formula: C12 H13 Cu N2 O5
• Title of publication: Porous coordination polymers based on functionalized Schiff base linkers: enhanced CO2 uptake by pore surface modification.
• Authors of publication: Bhattacharya, Biswajit; Haldar, Ritesh; Dey, Rajdip; Maji, Tapas Kumar; Ghoshal, Debajyoti
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2272 - 2282
• a: 29.135 ± 0.005 Å
• b: 13.191 ± 0.005 Å
• c: 8.599 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.247 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3305 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.088
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No