Information card for entry 4504217

Structure parameters

• Formula: C34 H14 Cu2 F8 N2 O8
• Calculated formula: C34 H14 Cu2 F8 N2 O8
• 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: 12.2599 ± 0.0009 Å
• b: 12.1377 ± 0.0009 Å
• c: 21.1716 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3150.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No