Information card for entry 7244704

Structure parameters

• Formula: C42 H40 Cl2 N2 O16
• Calculated formula: C42 H40 Cl2 N2 O16
• Title of publication: Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands
• Authors of publication: Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.683 ± 0.0017 Å
• b: 22.176 ± 0.004 Å
• c: 11.103 ± 0.002 Å
• α: 90°
• β: 108.05 ± 0.03°
• γ: 90°
• Cell volume: 2032.7 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No