Information card for entry 1552545

Structure parameters

• Formula: C47 H39 Cl3 N4 V
• Calculated formula: C47 H39 Cl3 N4 V
• SMILES: c1(c(cc(cc1C(c1ccccc1)c1ccccc1)Cl)C(c1ccccc1)c1ccccc1)N=[V]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)(Cl)Cl
• Title of publication: Copolymerization of Ethylene with Propylene and Higher α-Olefins Catalyzed by (Imido)vanadium(IV) Dichloride Complexes
• Authors of publication: Zanchin, Giorgia; Bertini, Fabio; Vendier, Laure; Ricci, Giovanni; Lorber, Christian; Leone, Giuseppe
• Journal of publication: Polymer Chemistry
• Year of publication: 2019
• a: 9.343 ± 0.003 Å
• b: 12.699 ± 0.003 Å
• c: 18.845 ± 0.005 Å
• α: 94.699 ± 0.009°
• β: 97.476 ± 0.007°
• γ: 94.983 ± 0.008°
• Cell volume: 2198.7 ± 1.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No