Information card for entry 4504220

Structure parameters

• Formula: C30 H30 Cu2 F8 O12
• Calculated formula: C30 H30 Cu2 F8 O12
• Title of publication: Guest-Dependent Cavities in Two-Dimensional Metal−Organic Frameworks Sustained by Tetrafluoro-1,3-benzenedicarboxylate
• Authors of publication: Wang, Zhenqiang; Kravtsov, Victor Ch.; Walsh, Rosa B.; Zaworotko, Michael J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 1154
• a: 13.2869 ± 0.001 Å
• b: 13.5884 ± 0.0011 Å
• c: 19.2207 ± 0.0015 Å
• α: 90°
• β: 103.692 ± 0.001°
• γ: 90°
• Cell volume: 3371.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0868
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No