Information card for entry 7103455

Structure parameters

• Formula: C44 H28 F6 N6 O2 Zn
• Calculated formula: C44 H24 F6 N6 O2 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: 33.1347 ± 0.0004 Å
• b: 33.1347 ± 0.0004 Å
• c: 9.1686 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8717.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.2028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No