Information card for entry 7224799

Structure parameters

• Formula: C50 H46 Cl2 N12 O20 Zn3
• Calculated formula: C50 H46 Cl2 N12 O20 Zn3
• 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: 10.6476 ± 0.0013 Å
• b: 19.578 ± 0.002 Å
• c: 15.1746 ± 0.0017 Å
• α: 90°
• β: 107.808 ± 0.004°
• γ: 90°
• Cell volume: 3011.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0416
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No