Information card for entry 7117144

Structure parameters

• Formula: C147 H182 N14 O56 Zn6
• Calculated formula: C105 H80 O42 Zn6
• Title of publication: Linearly bridging CO2 in a metal-organic framework
• Authors of publication: Fei-Yan Yi; Hai-Long Jiang; Zhong-Ming Sun
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8446
• a: 19.7928 ± 0.0016 Å
• b: 17.7591 ± 0.0014 Å
• c: 28.543 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10032.9 ± 1.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 53
• Hermann-Mauguin space group symbol: P m n a
• Hall space group symbol: -P 2ac 2
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No