Information card for entry 7246629

Structure parameters

• Formula: C74.5 H59.5 N2.5 O10.5 Zn2
• Calculated formula: C74.5 H59.5 N2.5 O10.5 Zn2
• Title of publication: Improved quantum yield in geometrically constrained tetraphenylethylene-based metal–organic frameworks
• Authors of publication: Stawiasz, Katherine J.; Deneff, Jacob I.; Reyes, Raphael A.; Woods, Toby J.; Rohwer, Lauren E. S.; Valdez, Nichole; Rodriguez, Mark A.; Lawal, Abdul; Moore, Jeffrey S.; Sava Gallis, Dorina F.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 18
• Pages of publication: 2701 - 2705
• a: 10.4851 ± 0.0005 Å
• b: 17.0154 ± 0.0008 Å
• c: 24.7946 ± 0.0011 Å
• α: 89.7118 ± 0.0011°
• β: 89.6383 ± 0.0012°
• γ: 82.0544 ± 0.0012°
• Cell volume: 4381 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.1034
• Weighted residual factors for significantly intense reflections: 0.3158
• Weighted residual factors for all reflections included in the refinement: 0.3259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.584
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No