Information card for entry 4086944

Structure parameters

• Formula: C29 H36 F6 N3 O V
• Calculated formula: C29 H36 F6 N3 O V
• SMILES: [V]1(OC(C(F)(F)F)(C(F)(F)F)C)(=NC23CC4CC(C2)CC(C3)C4)([n]2ccccc2CN1c1c(cccc1C)C)C
• Title of publication: Synthesis of (Adamantylimido)vanadium(V) Dimethyl Complex Containing (2-Anilidomethyl)pyridine Ligand and Selected Reactions: Exploring the Oxidation State of the Catalytically Active Species in Ethylene Dimerization
• Authors of publication: Nomura, Kotohiro; Mitsudome, Takato; Igarashi, Atsushi; Nagai, Go; Tsutsumi, Ken; Ina, Toshiaki; Omiya, Takuya; Takaya, Hikaru; Yamazoe, Seiji
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 530
• a: 9.709 ± 0.006 Å
• b: 9.814 ± 0.006 Å
• c: 16.63 ± 0.01 Å
• α: 73.62 ± 0.017°
• β: 73.712 ± 0.019°
• γ: 78.33 ± 0.03°
• Cell volume: 1446.1 ± 1.5 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No