Information card for entry 4335820

Structure parameters

• Formula: C96 H84 N12 O16 S4 Zn4
• Calculated formula: C96 H84 N12 O16 S4 Zn4
• Title of publication: Hierarchical Guest Exchange and Step-by-Step Activation of a Biporous Coordination Framework
• Authors of publication: Sergey A. Sapchenko; Denis G. Samsonenko; Danil N. Dybtsev; Vladimir P. Fedin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9702 - 9704
• a: 12.2241 ± 0.0003 Å
• b: 31.2482 ± 0.0007 Å
• c: 24.8982 ± 0.0005 Å
• α: 90°
• β: 97.846 ± 0.001°
• γ: 90°
• Cell volume: 9421.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No