Information card for entry 7247190

Structure parameters

• Chemical name: xstr1355
• Formula: C115.44 H96.4 Cd5.6 N14.68 O39.2
• Calculated formula: C113.52 H93.2 Cd5.6 N14.44 O39.2
• 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: 14.68693 ± 0.00011 Å
• b: 42.8432 ± 0.0003 Å
• c: 33.8507 ± 0.0002 Å
• α: 90°
• β: 93.1111 ± 0.0007°
• γ: 90°
• Cell volume: 21268.7 ± 0.3 ų
• Cell temperature: 155 ± 7 K
• Ambient diffraction temperature: 155 ± 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: 0.0878
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2327
• Weighted residual factors for all reflections included in the refinement: 0.2426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No