Information card for entry 4515220

Structure parameters

• Formula: C21.46 H10 Cl0.25 Cr0.25 O8 Zr1.5
• Calculated formula: C21.46 H10 Cl0.25 Cr0.25 O8 Zr1.5
• Title of publication: Metal‒Organic Framework Supported Single Site Chromium(III) Catalyst for Ethylene Oligomerization at Low Pressure and Temperature
• Authors of publication: Goetjen, Timothy A.; Zhang, Xuan; Liu, Jian; Hupp, Joseph T.; Farha, Omar K.
• Journal of publication: ACS Sustainable Chemistry & Engineering
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 2553
• a: 39.1 ± 0.002 Å
• b: 39.1 ± 0.002 Å
• c: 16.7147 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 22130 ± 2 ų
• Cell temperature: 210 K
• Ambient diffraction temperature: 210 K
• Number of distinct elements: 6
• 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: 0.1642
• Residual factor for significantly intense reflections: 0.1403
• Weighted residual factors for significantly intense reflections: 0.3816
• Weighted residual factors for all reflections included in the refinement: 0.4006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.401
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No