Information card for entry 1566239

Structure parameters

• Formula: C45.27 H22 Al Cl2 Cr0.18 O15.33 Zr3
• Calculated formula: C45.26 H22 Al Cl2 Cr0.184 O15.3334 Zr3
• Title of publication: Ethylene polymerization with a crystallographically well-defined metal–organic framework supported catalyst
• Authors of publication: Goetjen, Timothy A.; Knapp, Julia G.; Syed, Zoha H.; Hackler, Ryan A.; Zhang, Xuan; Delferro, Massimiliano; Hupp, Joseph T.; Farha, Omar K.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1619 - 1627
• a: 39.433 ± 0.003 Å
• b: 39.433 ± 0.003 Å
• c: 16.2564 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21891 ± 2 ų
• Cell temperature: 200.15 K
• Ambient diffraction temperature: 200.15 K
• Number of distinct elements: 7
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2454
• Weighted residual factors for all reflections included in the refinement: 0.2678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No