Information card for entry 7244701

Structure parameters

• Formula: C39 H41 Cl N2 O19
• Calculated formula: C39 H41 Cl N2 O19
• 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: 9.43 ± 0.0019 Å
• b: 9.79 ± 0.002 Å
• c: 21.43 ± 0.004 Å
• α: 83.42 ± 0.03°
• β: 80.88 ± 0.03°
• γ: 78.36 ± 0.03°
• Cell volume: 1906.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1855
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No