Information card for entry 7102792

Structure parameters

• Formula: C41 H51 N4 V
• Calculated formula: C41 H51 N4 V
• SMILES: c1(c(C(C)C)cccc1C(C)C)[N]1=C(C)C=C(C)N(c2c(C(C)C)cccc2C(C)C)[V]1(=Nc1ccccc1)=Nc1ccccc1
• Title of publication: Synthesis and reactions of β-diketiminato divanadium(I) inverted-sandwich complexes
• Authors of publication: Tsai, Yi-Chou; Wang, Po-Yang; Lin, Kuan-Ming; Chen, Shin-An; Chen, Jin-Ming
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 2
• Pages of publication: 205 - 207
• a: 12.7056 ± 0.0004 Å
• b: 17.7171 ± 0.0006 Å
• c: 18.9744 ± 0.0009 Å
• α: 90°
• β: 98.778 ± 0.002°
• γ: 90°
• Cell volume: 4221.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1687
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.2292
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No