Information card for entry 4084769

Structure parameters

• Formula: C45 H75 N4 Si2 V
• Calculated formula: C45 H75 N4 Si2 V
• SMILES: [V](=NC12CC3CC(C1)CC(C2)C3)(N=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Synthesis of (Imido)vanadium(V) Alkyl and Alkylidene Complexes Containing Imidazolidin-2-iminato Ligands: Effect of Imido Ligand on ROMP and 1,2-C‒H Bond Activation of Benzene
• Authors of publication: Nomura, Kotohiro; Bahuleyan, Bijal Kottukkal; Tsutsumi, Ken; Igarashi, Atsushi
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 6682
• a: 10.8115 ± 0.0002 Å
• b: 12.2653 ± 0.0003 Å
• c: 18.3622 ± 0.0004 Å
• α: 85.3288 ± 0.0007°
• β: 86.9167 ± 0.0007°
• γ: 72.4998 ± 0.0007°
• Cell volume: 2313.43 ± 0.09 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No