Information card for entry 7047400

Structure parameters

• Formula: C32 H39 Cl3 Cr N3
• Calculated formula: C32 H39 Cl3 Cr N3
• Title of publication: Cycloheptyl-fused N,N,N'-chromium catalysts with selectivity for vinyl-terminated polyethylene waxes: thermal optimization and polymer functionalization.
• Authors of publication: Huang, Chuanbing; Huang, Yongfeng; Ma, Yanping; Solan, Gregory A.; Sun, Yang; Hu, Xinquan; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 38
• Pages of publication: 13487 - 13497
• a: 12.413 ± 0.003 Å
• b: 15.526 ± 0.003 Å
• c: 15.772 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3039.6 ± 1.1 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No