Information card for entry 7021592

Structure parameters

• Formula: C33 H26 Cl3 N4 V
• Calculated formula: C33 H26 Cl3 N4 V
• SMILES: [V]12(Cl)(Cl)(Cl)[N](=C(c3[n]1c(ccc3)C(=[N]2c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.C(#N)C
• Title of publication: Organometallic mediated radical polymerization of vinyl acetate using bis(imino)pyridine vanadium trichloride complexes.
• Authors of publication: Perry, Mitchell R.; Allan, Laura E. N.; Decken, Andreas; Shaver, Michael P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9157 - 9165
• a: 19.323 ± 0.002 Å
• b: 11.4292 ± 0.0014 Å
• c: 27.637 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6103.5 ± 1.2 ų
• Cell temperature: 198 ± 1 K
• Ambient diffraction temperature: 198 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1619
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No