Information card for entry 7224796

Structure parameters

• Formula: C18 H14 N4 O5 S Zn
• Calculated formula: C18 H14 N4 O5 S Zn
• Title of publication: Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands
• Authors of publication: Parshamoni, Srinivasulu; Konar, Sanjit
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 4395
• a: 23.245 ± 0.003 Å
• b: 9.9259 ± 0.0012 Å
• c: 17.277 ± 0.002 Å
• α: 90°
• β: 106.81 ± 0.002°
• γ: 90°
• Cell volume: 3815.9 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0238
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No