Information card for entry 4343237

Structure parameters

• Formula: C102 H98 N2 O21 Zn4
• Calculated formula: C102 H74 N2 O21 Zn4
• Title of publication: Exploiting Framework Flexibility of a Metal-Organic Framework for Selective Adsorption of Styrene over Ethylbenzene.
• Authors of publication: Mukherjee, Soumya; Joarder, Biplab; Desai, Aamod V.; Manna, Biplab; Krishna, Rajamani; Ghosh, Sujit K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 4403 - 4408
• a: 11.9745 ± 0.001 Å
• b: 32.827 ± 0.003 Å
• c: 25.847 ± 0.002 Å
• α: 90°
• β: 98.614 ± 0.002°
• γ: 90°
• Cell volume: 10045.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1701
• Residual factor for significantly intense reflections: 0.1094
• Weighted residual factors for significantly intense reflections: 0.3114
• Weighted residual factors for all reflections included in the refinement: 0.3426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No