Information card for entry 7717804

Structure parameters

• Formula: C13 H16 Cd I2 N4 O2
• Calculated formula: C13 H16 Cd I2 N4 O2
• Title of publication: Controlling pseudopolymorphism <i>via</i> robust and repetitive solvent-containing supramolecular interactions in urea-based isostructural coordination polymers.
• Authors of publication: Khorshidi, Ghazale; Notash, Behrouz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 3759 - 3773
• a: 9.0475 ± 0.0018 Å
• b: 10.378 ± 0.002 Å
• c: 20.096 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1886.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No