Information card for entry 7244710

Structure parameters

• Formula: C45 H48.5 Cu4 N3.5 O21
• Calculated formula: C45 H48.5 Cu4 N3.5 O21
• 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: 14.6827 ± 0.0009 Å
• b: 18.5378 ± 0.0005 Å
• c: 21.3961 ± 0.0005 Å
• α: 73.768 ± 0.002°
• β: 71.193 ± 0.004°
• γ: 87.559 ± 0.004°
• Cell volume: 5285.8 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1528
• Residual factor for significantly intense reflections: 0.1365
• Weighted residual factors for significantly intense reflections: 0.3768
• Weighted residual factors for all reflections included in the refinement: 0.3896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.482
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No