Information card for entry 7113997

Structure parameters

• Formula: C12 H8 Cu N2 O4
• Calculated formula: C12 H8 Cu N2 O4
• Title of publication: An extremely stable open-framework metal‒organic polymer with expandable structure and selective adsorption capabilityElectronic supplementary information (ESI) available: Figs. S1 and S2: views of propanol inclusion structure. See http://www.rsc.org/suppdata/cc/b2/b200213b/
• Authors of publication: Lu, Jack Y.; Babb, Amy M.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 1340
• a: 4.9577 ± 0.0003 Å
• b: 24.6312 ± 0.0015 Å
• c: 11.2322 ± 0.0007 Å
• α: 90°
• β: 98.325 ± 0.001°
• γ: 90°
• Cell volume: 1357.16 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No