Information card for entry 4500311

Structure parameters

• Common name: Zn-F-MOF-4A
• Formula: C29 H22 F5.92 N2 O4 Zn
• Calculated formula: C29 H22.5 F5.92 N2 O4 Zn
• Title of publication: Solvothermal Synthesis, Structure, and Properties of Metal Organic Framework Isomers Derived from a Partially Fluorinated Link
• Authors of publication: Pachfule, Pradip; Das, Raja; Poddar, Pankaj; Banerjee, Rahul
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 1215
• a: 21.626 ± 0.002 Å
• b: 14.6622 ± 0.0017 Å
• c: 17.777 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5636.8 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No