Information card for entry 4069054

Structure parameters

• Formula: C32 H44 Cl2 N3 O V
• Calculated formula: C32 H44 Cl2 N3 O V
• SMILES: [V]12(Cl)(Cl)(OC(c3[n]1c(ccc3)C(=[N]2c1c(cccc1C(C)C)C(C)C)C)(C)C)=NC12CC3CC(C1)CC(C2)C3
• Title of publication: Synthesis of (1-Adamantylimido)vanadium(V)-alkyl Complexes Containing a Chelate Alkoxo(imino)pyridine Ligand, and Reactions with Alcohols (ROH) That Proceed via Intermediates Formed by Coordination of ROH
• Authors of publication: Zhang, Wenjuan; Katao, Shohei; Sun, Wen-Hua; Nomura, Kotohiro
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1558
• a: 10.1796 ± 0.0004 Å
• b: 10.6325 ± 0.0005 Å
• c: 17.056 ± 0.0006 Å
• α: 102.298 ± 0.0017°
• β: 91.9098 ± 0.0013°
• γ: 114.248 ± 0.0015°
• Cell volume: 1629.37 ± 0.12 ų
• Cell temperature: 193.1 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: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No