Information card for entry 7244712

Structure parameters

• Formula: C40 H29.5 Cl0.5 Cu4 N2.5 O20
• Calculated formula: C40 H29.5 Cl0.5 Cu4 N2.5 O20
• 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: 20.934 ± 0.004 Å
• b: 31.398 ± 0.006 Å
• c: 13.458 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8846 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 65
• Hermann-Mauguin space group symbol: C m m m
• Hall space group symbol: -C 2 2
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.710877 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No