Information card for entry 4500310

Structure parameters

• Formula: C23 H15 Cu F6 N O4
• Calculated formula: C23 H15 Cu F6 N O4
• 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: 21.561 ± 0.003 Å
• b: 14.717 ± 0.002 Å
• c: 17.745 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5630.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No