Information card for entry 4336638

Structure parameters

• Formula: C54 H38 Cd3 O20
• Calculated formula: C54 H30 Cd3 O20
• Title of publication: Structural Dynamism and Controlled Chemical Blocking/Unblocking of Active Coordination Space of a Soft Porous Crystal
• Authors of publication: Abhijeet K. Chaudhari; Sanjog S. Nagarkar; Biplab Joarder; Soumya Mukherjee; Sujit K. Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12784 - 12789
• a: 15.777 ± 0.002 Å
• b: 10.6187 ± 0.0015 Å
• c: 18.958 ± 0.003 Å
• α: 90°
• β: 97.359 ± 0.002°
• γ: 90°
• Cell volume: 3149.9 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.694
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No