Information card for entry 7250777

Structure parameters

• Formula: C20 H28 Cd Cl2 N6 O12
• Calculated formula: C20 H28 Cd Cl2 N6 O12
• 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: 8.6491 ± 0.0017 Å
• b: 9.1342 ± 0.0018 Å
• c: 9.599 ± 0.0019 Å
• α: 88.5 ± 0.03°
• β: 76.85 ± 0.03°
• γ: 72.1 ± 0.03°
• Cell volume: 701.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No