Information card for entry 7103456

Structure parameters

• Formula: C45 H25 Cl3 F6 N6 Zn
• Calculated formula: C45 H25 Cl3 F6 N6 Zn
• Title of publication: Molecular tectonics: control of pore size and polarity in 3-D hexagonal coordination networks based on porphyrins and a zinc cation.
• Authors of publication: Kühn, Elisabeth; Bulach, Véronique; Hosseini, Mir Wais
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 41
• Pages of publication: 5104 - 5106
• a: 17.0482 ± 0.0011 Å
• b: 14.1382 ± 0.001 Å
• c: 17.2892 ± 0.0011 Å
• α: 90°
• β: 101.433 ± 0.003°
• γ: 90°
• Cell volume: 4084.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.2317
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.2227
• Weighted residual factors for all reflections included in the refinement: 0.2781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No