Information card for entry 1570946

Structure parameters

• Formula: C40 H46 N6 O12 Zn
• Calculated formula: C40 H46 N6 O12 Zn
• Title of publication: Ambient conversion of CO2 and epoxides to cyclic carbonates using 3D amide-functionalized MOFs
• Authors of publication: Khattak, Zafar A. K.; Ahmad, Nazir; Younus, Hussein A.; Ullah, Habib; Yu, Baoyi; Munawar, Khurram S.; Ashfaq, Muhammad; Yaseen, Muhammad; Danish, Muhammad; Al-Abri, Mohammed; AlHajri, Rashid; Verpoort, Francis
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 1888 - 1901
• a: 13.2667 ± 0.0011 Å
• b: 13.8534 ± 0.0012 Å
• c: 22.0429 ± 0.0019 Å
• α: 90°
• β: 93.349 ± 0.002°
• γ: 90°
• Cell volume: 4044.3 ± 0.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0487
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No