Information card for entry 7247187

Structure parameters

• Chemical name: catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tetra(dimethlyformamide)-tetraaqua-hepta cadmium acetonitrile
• Formula: C142.2 H117.2 Cd6.8 N19.5 O48
• Calculated formula: C142.2 H116.7 Cd6.8 N19.5 O48
• 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: 13.6817 ± 0.0002 Å
• b: 43.2808 ± 0.0004 Å
• c: 33.7646 ± 0.0004 Å
• α: 90°
• β: 95.3182 ± 0.0014°
• γ: 90°
• Cell volume: 19907.8 ± 0.4 ų
• Cell temperature: 154 ± 7 K
• Ambient diffraction temperature: 154 ± 7 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: 0.0906
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No