Information card for entry 4339342

Structure parameters

• Common name: Compound 3
• Formula: C40 H45 Cl N3 O2 S2 V
• Calculated formula: C40 H45 Cl N3 O2 S2 V
• SMILES: [V]1234(Cl)Oc5c(cc(C)cc5C(C)(C)C)C=[N]1c1c(cccc1)[S]2CCSc1c([N]4=Cc2c(O3)c(cc(c2)C)C(C)(C)C)cccc1.N#CC
• Title of publication: Vanadium complexes possessing N2O2S2-based ligands: highly active procatalysts for the homopolymerization of ethylene and copolymerization of ethylene/1-hexene.
• Authors of publication: Homden, Damien M.; Redshaw, Carl; Hughes, David L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 10827 - 10839
• a: 9.6892 ± 0.0007 Å
• b: 11.7442 ± 0.001 Å
• c: 17.1594 ± 0.0008 Å
• α: 84.56 ± 0.006°
• β: 84.449 ± 0.006°
• γ: 76.692 ± 0.007°
• Cell volume: 1885.9 ± 0.2 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No