Information card for entry 7012978

Structure parameters

• Formula: C33 H51 F6 N4 O6 S2 V
• Calculated formula: C33 H51 F6 N4 O6 S2 V
• SMILES: [V]123(N(C(=CC(C)=[N]2CC[N]3(CC)CC)C)CC[N]1(CC)CC)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.Cc1ccccc1.Cc1ccccc1
• Title of publication: Vanadium complexes incorporating the ?-diketiminato ligand L. Syntheses and structures of LV(OSO2CF3)2 and LVPPh2
• Authors of publication: Neculai, Dante; Mirela Neculai, Ana; Roesky, Herbert W.; Herbst-Irmer, Regine; Walfort, Bernhard; Stalke, Dietmar
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 14
• Pages of publication: 2831
• a: 15.329 ± 0.002 Å
• b: 13.388 ± 0.002 Å
• c: 19.652 ± 0.003 Å
• α: 90°
• β: 97.774 ± 0.003°
• γ: 90°
• Cell volume: 3996 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No