Information card for entry 7246089

Structure parameters

• Formula: C18 H21 Cd N8 O8
• Calculated formula: C18 H21 Cd N8 O8
• Title of publication: Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework
• Authors of publication: Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 1116 - 1125
• a: 8.4948 ± 0.0008 Å
• b: 8.8675 ± 0.0008 Å
• c: 9.1411 ± 0.0009 Å
• α: 62.811 ± 0.002°
• β: 72.947 ± 0.002°
• γ: 87.063 ± 0.002°
• Cell volume: 582.78 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0149
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No