Information card for entry 4339343

Structure parameters

• Common name: Compound 7
• Formula: C82 H100 N4 O6 S4 V2
• Calculated formula: C82 H100 N4 O6 S4 V2
• SMILES: [V]1234([N](=Cc5c(c(cc(c5)C)C(C)(C)C)O1)c1ccccc1[S]4CC[S]1[V]456([N](=Cc7c(c(cc(c7)C)C(C)(C)C)O4)c4ccccc4S6)[N](=Cc4c(c(cc(c4)C)C(C)(C)C)O5)c4ccccc14)Oc1c(cc(cc1C=[N]2c1ccccc1S3)C)C(C)(C)C.CCOCC.CCOCC
• 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: 11.567 ± 0.003 Å
• b: 12.515 ± 0.003 Å
• c: 14.789 ± 0.004 Å
• α: 73.4 ± 0.02°
• β: 80.22 ± 0.02°
• γ: 65.98 ± 0.02°
• Cell volume: 1870.5 ± 0.9 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1318
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No