Information card for entry 4336742

Structure parameters

• Formula: C15 H9 N2 O9 S2 Zn
• Calculated formula: C15 H9 N2 O9 S2 Zn
• Title of publication: Third-Generation Breathing Metal-Organic Framework with Selective, Stepwise, Reversible, and Hysteretic Adsorption Properties
• Authors of publication: Suresh Sanda; Srinivasulu Parshamoni; Sanjit Konar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12866 - 12868
• a: 9.042 ± 0.002 Å
• b: 10.886 ± 0.003 Å
• c: 11.504 ± 0.003 Å
• α: 92.538 ± 0.01°
• β: 107.026 ± 0.009°
• γ: 104.393 ± 0.009°
• Cell volume: 1040.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.43
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No