Information card for entry 4508110

Structure parameters

• Common name: C8H14[OSSO]V(=O)(OPr)3
• Chemical name: C8H14[OSSO]V(=O)(OPr)3
• Formula: C44 H72 O4 S2 V
• Calculated formula: C44 H72 O4 S2 V
• Title of publication: Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand
• Authors of publication: Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko
• Journal of publication: ACS Catalysis
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 1764
• a: 14.843 ± 0.003 Å
• b: 16.907 ± 0.004 Å
• c: 17.478 ± 0.004 Å
• α: 90°
• β: 93.767 ± 0.004°
• γ: 90°
• Cell volume: 4376.6 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No