Information card for entry 7124230

Structure parameters

• Formula: C38 H37 Cd2 N4 O8
• Calculated formula: C38 H37 Cd2 N4 O8
• Title of publication: A reversible photochemical solid-state transformation in an interpenetrated 3D metal‒organic framework with mechanical softness
• Authors of publication: Pahari, Goutam; Bhattacharya, Biswajit; Reddy, C. Malla; Ghoshal, Debajyoti
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.9867 ± 0.0005 Å
• b: 15.7579 ± 0.0005 Å
• c: 17.026 ± 0.0005 Å
• α: 90°
• β: 94.278 ± 0.002°
• γ: 90°
• Cell volume: 3742.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1059
• 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