Information card for entry 7014690

Structure parameters

• Formula: C72 H64 N4 V2
• Calculated formula: C72 H64 N4 V2
• Title of publication: Ligand-controlled synthesis of vanadium(i) β-diketiminates and their catalysis in cyclotrimerization of alkynes.
• Authors of publication: Chang, Kai-Chieh; Lu, Chia-Fu; Wang, Po-Yang; Lu, Duan-Yen; Chen, Hong-Zhang; Kuo, Ting-Shen; Tsai, Yi-Chou
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2324 - 2331
• a: 24.8878 ± 0.0012 Å
• b: 9.5634 ± 0.0005 Å
• c: 25.2169 ± 0.0012 Å
• α: 90°
• β: 112.559 ± 0.002°
• γ: 90°
• Cell volume: 5542.7 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/a 1
• Hall space group symbol: -P 2ya
• Residual factor for all reflections: 0.1683
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No