Information card for entry 7236080

Structure parameters

• Chemical name: TMU-19
• Formula: C21 H16 N3 O5 Zn
• Calculated formula: C21 H16 N3 O5 Zn
• Title of publication: Urea-containing metal-organic frameworks as heterogeneous organocatalysts
• Authors of publication: Tehrani, Alireza Azhdari; Abedi, Sedigheh; Morsali, Ali; Wang, Jun; Junk, Peter C.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 40
• Pages of publication: 20408
• a: 21.035 ± 0.004 Å
• b: 16.064 ± 0.003 Å
• c: 29.891 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10100 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2428
• Weighted residual factors for all reflections included in the refinement: 0.2532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No