Information card for entry 7250776

Structure parameters

• Formula: C28 H28 Cd Cl2 N12 O10
• Calculated formula: C28 H28 Cd Cl2 N12 O10
• Title of publication: Moisture-induced single-crystal-to-powder structural transformation in cadmium coordination compounds containing an electron-deficient ligand: coordinated solvent exchange and retention of dimension
• Authors of publication: Ebrahimi, Bahare; Notash, Behrouz
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 35
• Pages of publication: 5889 - 5900
• a: 8.422 ± 0.0017 Å
• b: 15.067 ± 0.003 Å
• c: 13.735 ± 0.003 Å
• α: 90°
• β: 98.15 ± 0.03°
• γ: 90°
• Cell volume: 1725.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1132
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No