Information card for entry 7128977

Structure parameters

• Chemical name: Zn-TDA
• Formula: C62 H52 N10 O15 Zn3
• Calculated formula: C62 H52 N10 O15 Zn3
• Title of publication: Amino and triazole-containing metal-organic frameworks for highly efficient CO₂ fixation.
• Authors of publication: Li, Yang; Tian, Xueqin; Jiang, Weiwei; Wu, Pengyan; Li, Han-Shu; Wang, Man; Lin, Chen; Wang, Jian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 82
• Pages of publication: 10803 - 10806
• a: 13.7019 ± 0.0013 Å
• b: 13.9995 ± 0.0012 Å
• c: 21.143 ± 0.002 Å
• α: 74.258 ± 0.005°
• β: 79.162 ± 0.005°
• γ: 63.495 ± 0.004°
• Cell volume: 3482.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No