Information card for entry 7247192

Structure parameters

• Chemical name: xstr1393
• Formula: C123 H108.67 Cd4.67 N15 O27.67
• Calculated formula: C123 H108.667 Cd4.66667 N15 O27.6667
• 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: 14.75582 ± 0.00016 Å
• b: 42.951 ± 0.0003 Å
• c: 33.8388 ± 0.0003 Å
• α: 90°
• β: 93.4415 ± 0.0009°
• γ: 90°
• Cell volume: 21407.6 ± 0.3 ų
• Cell temperature: 152 ± 4 K
• Ambient diffraction temperature: 152 ± 4 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: 0.104
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.2409
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No