Information card for entry 1577486

Structure parameters

• Formula: C11 H11 Cd Cl N2 O4
• Calculated formula: C11 H11 Cd Cl N2 O4
• Title of publication: Cooperativity and Anticooperativity Effects in a Cadmium-Based Metal−Organic Framework: Structural Characterization, Non-Covalent Interaction Analysis, and Catalytic Activity
• Authors of publication: Sadhukhan, Arijit; Mal, Dasarath; Maity, Buddhadev; Mahapatra, Debadyuti; Maity, Tanmoy; Brandao, Paula; Das, Asit Kumar; Roy Choudhury, Chirantan; Bhaumik, Prasanta Kumar; Frontera, Antonio
• Journal of publication: Langmuir
• Year of publication: 2026
• Journal volume: 42
• Journal issue: 20
• Pages of publication: 14128 - 14141
• a: 6.848 ± 0.0001 Å
• b: 25.4263 ± 0.0005 Å
• c: 7.4429 ± 0.0002 Å
• α: 90°
• β: 98.557 ± 0.002°
• γ: 90°
• Cell volume: 1281.53 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No