Information card for entry 4339339

Structure parameters

• Common name: Compound H2L1
• Formula: C38 H44 N2 O2 S2
• Calculated formula: C38 H44 N2 O2 S2
• SMILES: c1(c(cc(cc1C(C)(C)C)C)/C=N/c1c(cccc1)SCCSc1c(/N=C/c2c(c(cc(c2)C)C(C)(C)C)O)cccc1)O
• 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: 9.3754 ± 0.0007 Å
• b: 17.3669 ± 0.0011 Å
• c: 11.149 ± 0.0007 Å
• α: 90°
• β: 116.819 ± 0.007°
• γ: 90°
• Cell volume: 1620 ± 0.2 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No