Information card for entry 7102791

Structure parameters

• Formula: C64 H96 N4 O3 V2
• Calculated formula: C64 H96 N4 O3 V2
• 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(=O)O[V]1([N](c2c(C(C)C)cccc2C(C)C)=C(C)C=C(C)N1c1c(C(C)C)cccc1C(C)C)=O.CCCCCC
• 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: 13.7676 ± 0.0002 Å
• b: 21.2023 ± 0.0004 Å
• c: 23.5956 ± 0.0005 Å
• α: 90°
• β: 106.462 ± 0.001°
• γ: 90°
• Cell volume: 6605.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.094
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1911
• Weighted residual factors for all reflections included in the refinement: 0.2076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No