Information card for entry 7221869

Structure parameters

• Formula: C50 H34 N2 O10 Zn
• Calculated formula: C50 H42 N2 O10 Zn
• Title of publication: Rational design of a pyrene based luminescent porous supramolecular framework: excimer emission and energy transfer
• Authors of publication: Prasad, Komal; Haldar, Ritesh; Maji, Tapas Kumar
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 30.904 ± 0.005 Å
• b: 16.245 ± 0.005 Å
• c: 8.387 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.17 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4211 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No