Information card for entry 4517000

Structure parameters

• Formula: C51 H40 B Cl2 F15 N3 V
• Calculated formula: C51 H40 B Cl2 F15 N3 V
• SMILES: [V](Cl)(Cl)(=Nc1ccccc1)=C1N(C=C(N1c1c(cccc1C(C)C)C(C)C)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(cccc1C(C)C)C(C)C
• 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: 11.1068 ± 0.0005 Å
• b: 12.9223 ± 0.0006 Å
• c: 19.2069 ± 0.0008 Å
• α: 77.295 ± 0.004°
• β: 74.617 ± 0.004°
• γ: 83.817 ± 0.005°
• Cell volume: 2589.3 ± 0.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No