Information card for entry 7107936

Structure parameters

• Formula: C22 H22 N4 O8 Zn2
• Calculated formula: C22 N4 O8 Zn2
• Title of publication: Targeted functionalisation of a hierarchically-structured porous coordination polymer crystal enhances its entire function
• Authors of publication: Kenji Hirai; Shuhei Furukawa; Mio Kondo; Mikhail Meilikhov; Yoko Sakata; Osami Sakata; Susumu Kitagawa
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6472
• a: 10.9681 ± 0.0009 Å
• b: 10.9681 ± 0.0009 Å
• c: 9.719 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1169.19 ± 0.18 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 5
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.3022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No