Information card for entry 7236079

Structure parameters

• Chemical name: TMU-18
• Formula: C83 H63 N13 O21 Zn4
• Calculated formula: C83 H63 N13 O21 Zn4
• 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: 21.179 ± 0.004 Å
• b: 22.56 ± 0.005 Å
• c: 23.138 ± 0.005 Å
• α: 105.3 ± 0.03°
• β: 114.19 ± 0.03°
• γ: 102.88 ± 0.03°
• Cell volume: 9012 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.113
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No