Information card for entry 7210846

Structure parameters

• Formula: C58 H78 Cd3 N4 O18
• Calculated formula: C58 H78 Cd3 N4 O18
• Title of publication: Bi-porous metal‒organic framework with hydrophilic and hydrophobic channels: selective gas sorption and reversible iodine uptake studies
• Authors of publication: Chaudhari, Abhijeet K.; Mukherjee, Soumya; Nagarkar, Sanjog S.; Joarder, Biplab; Ghosh, Sujit K.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9465
• a: 9.8523 ± 0.0007 Å
• b: 19.5244 ± 0.0015 Å
• c: 19.6699 ± 0.0015 Å
• α: 89.715 ± 0.002°
• β: 83.058 ± 0.002°
• γ: 87.776 ± 0.002°
• Cell volume: 3753.1 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.292
• Weighted residual factors for all reflections included in the refinement: 0.3074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No