Information card for entry 4517001

Structure parameters

• Formula: C53 H44 B Cl2 F15 N3 V
• Calculated formula: C53 H44 B Cl1.7416 F15 N3 V
• Title of publication: XAS Analysis of Reactions of (Arylimido)vanadium(V) Dichloride Complexes Containing Anionic NHC That Contains a Weakly Coordinating B(C₆F₅)₃ Moiety (WCA-NHC) or Phenoxide Ligands with Al Alkyls: A Potential Ethylene Polymerization Catalyst with WCA-NHC Ligands.
• Authors of publication: Nomura, Kotohiro; Nagai, Go; Izawa, Itsuki; Mitsudome, Takato; Tamm, Matthias; Yamazoe, Seiji
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 20
• Pages of publication: 18833 - 18845
• a: 23.5392 ± 0.0006 Å
• b: 16.1604 ± 0.0005 Å
• c: 31.5068 ± 0.0008 Å
• α: 90°
• β: 97.42 ± 0.002°
• γ: 90°
• Cell volume: 11884.9 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No