Information card for entry 4330911

Structure parameters

• Formula: C42 H24 N3 O6 Zn2
• Calculated formula: C42 H24 N3 O6 Zn2
• Title of publication: Comparative Study of Activation Methods on Tuning Gas Sorption Properties of a Metal-Organic Framework with Nanosized Ligands
• Authors of publication: Yan-Ping He; Yan-Xi Tan; Jian Zhang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11232 - 11234
• a: 21.253 ± 0.002 Å
• b: 37.539 ± 0.003 Å
• c: 9.3861 ± 0.0014 Å
• α: 90°
• β: 93.753 ± 0.011°
• γ: 90°
• Cell volume: 7472.3 ± 1.4 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: 0.0775
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No