Information card for entry 7247193

Structure parameters

• Chemical name: catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tetra(dimethlyformamide)-tetraaqua-hepta cadmium dimethylformamide
• Formula: C147.75 H0.25 Cd7 N20.75 O51.75
• Calculated formula: C146.25 H135.25 Cd7 N20.25 O51.25
• Title of publication: Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method
• Authors of publication: Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 35
• Pages of publication: 5001 - 5011
• a: 14.6954 ± 0.0002 Å
• b: 42.2913 ± 0.0004 Å
• c: 33.8929 ± 0.0004 Å
• α: 90°
• β: 91.649 ± 0.001°
• γ: 90°
• Cell volume: 21055.3 ± 0.4 ų
• Cell temperature: 149.4 ± 0.8 K
• Ambient diffraction temperature: 149.4 ± 0.8 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: 0.0946
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No