Information card for entry 7112164

Structure parameters

• Formula: C40 H40 Cd2 N4 O8
• Calculated formula: C40 H40 Cd2 N4 O8
• Title of publication: Metal-organic frameworks as stationary phases for mixed-mode separation applications
• Authors of publication: Turner, David R.; Hawes, Chris S.; Batten, Stuart R.; Knowles, Gregory P.; Chaffee, Alan L.; Nolvachai, Yada; Kulsing, Chadin; Marriott, Philip J.
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3735
• a: 21.722 ± 0.004 Å
• b: 39.084 ± 0.008 Å
• c: 17.966 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15253 ± 5 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2379
• Weighted residual factors for all reflections included in the refinement: 0.2524
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No