Information card for entry 4504218

Structure parameters

• Formula: C37 H16 Cl Cu2 F8 N2 O8
• Calculated formula: C37 H14 Cl 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: 11.2399 ± 0.0009 Å
• b: 12.9837 ± 0.0011 Å
• c: 13.4073 ± 0.0011 Å
• α: 89.579 ± 0.001°
• β: 67.174 ± 0.001°
• γ: 79.601 ± 0.001°
• Cell volume: 1769.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1075
• 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