Information card for entry 7110480

Structure parameters

• Formula: C32 H48 Li N2 O3 S2 V
• Calculated formula: C32 H48 Li N2 O3 S2 V
• SMILES: [V]123([O](c4c(cccc4C(C)C)C(C)C)[Li]([O]3c3c(cccc3C(C)C)C(C)C)([N]#CC)[N]#CC)SCC[O]2CCS1
• Title of publication: Synthesis and molecular structure of vanadium(III) dithiolate complexes: a new class of alkene polymerization catalysts
• Authors of publication: Janas, Zofia; Jerzykiewicz, Lucjan B.; Sobota, Piotr; Richards, Raymond L.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 11
• Pages of publication: 1015
• a: 27.297 ± 0.005 Å
• b: 18.88 ± 0.004 Å
• c: 17.444 ± 0.003 Å
• α: 90°
• β: 126.75 ± 0.03°
• γ: 90°
• Cell volume: 7203 ± 4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No