Information card for entry 7247191

Structure parameters

• Chemical name: xstr1363
• Formula: C94.83 H81.86 Cd4 N10.57 O28.17
• Calculated formula: C94.8286 H80.4286 Cd4 N10.5714 O28.1714
• 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: 14.615 ± 0.0001 Å
• b: 43.0674 ± 0.0003 Å
• c: 33.6023 ± 0.0002 Å
• α: 90°
• β: 93.676 ± 0.001°
• γ: 90°
• Cell volume: 21106.8 ± 0.2 ų
• Cell temperature: 137.4 ± 0.6 K
• Ambient diffraction temperature: 137.4 ± 0.6 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: 0.0822
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.208
• Weighted residual factors for all reflections included in the refinement: 0.2136
• 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