Information card for entry 7106209

Structure parameters

• Formula: C33 H24 Cu2 N0 O14
• Calculated formula: C33 H24 Cu2 O14
• Title of publication: Selective CO2 adsorption in a flexible non-interpenetrated metal–organic framework
• Authors of publication: Tae Kyung Kim; Myunghyun Paik Suh
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4258
• a: 10.7765 ± 0.0009 Å
• b: 28.1439 ± 0.0013 Å
• c: 28.487 ± 0.002 Å
• α: 90°
• β: 98.706 ± 0.002°
• γ: 90°
• Cell volume: 8540.4 ± 1 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: 0.1512
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2084
• Weighted residual factors for all reflections included in the refinement: 0.2297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.772
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No