Information card for entry 7244707

Structure parameters

• Formula: C42.5 H48.5 Cd3 Cl N3.5 O28
• Calculated formula: C42.5 H48.5 Cd3 Cl N3.5 O28
• 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: 20.7302 ± 0.0003 Å
• b: 30.3248 ± 0.0003 Å
• c: 17.7067 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11131.1 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2163
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No