Information card for entry 7114528

Structure parameters

• Formula: C56 H40 F16 N8 Zn
• Calculated formula: C56 H40 F16 N8 Zn
• Title of publication: Supramolecular self-assembly of a fluorinated Zn porphyrin. Molecular structure of a two-dimensional network of amine-functionalized, hexacoordinated Zn porphyrins
• Authors of publication: Barkigia, Kathleen M.; Battioni, Pierrette; Riou, Vanessa; Mansuy, Daniel; Fajer, Jack
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 956
• a: 12.038 ± 0.001 Å
• b: 13.284 ± 0.002 Å
• c: 16.6 ± 0.002 Å
• α: 90°
• β: 111.08 ± 0.01°
• γ: 90°
• Cell volume: 2476.9 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0756
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.9273 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No