Information card for entry 7124231

Structure parameters

• Formula: C38 H40 Cd2 N4 O8
• Calculated formula: C38 H40 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: 13.7767 ± 0.0008 Å
• b: 14.4557 ± 0.0008 Å
• c: 18.5563 ± 0.0011 Å
• α: 90°
• β: 91.428 ± 0.004°
• γ: 90°
• Cell volume: 3694.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No