Information card for entry 4333578

Structure parameters

• Formula: C42 H24 N0 O15 Zn4
• Calculated formula: C42 H24 O15 Zn4
• Title of publication: A Straight Forward Route for the Development of Metal-Organic Frameworks Functionalized with Aromatic -OH Groups: Synthesis, Characterization, and Gas (N2, Ar, H2, CO2, CH4, NH3) Sorption Properties
• Authors of publication: Ioannis Spanopoulos; Pantelis Xydias; Christos D. Malliakas; Pantelis N. Trikalitis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 855 - 862
• a: 17.1238 ± 0.0011 Å
• b: 20.115 ± 0.0013 Å
• c: 27.1291 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9344.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.4428 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No