Information card for entry 7112419

Structure parameters

• Formula: C79.93 H98.07 O0.56 P3 S6 Si6 V
• Calculated formula: C79.923 H98.052 O0.558 P3 S6 Si6 V
• Title of publication: Activation of dichloromethane by a V(III) thiolate complex: an example of S-based nucleophilic reactivity in an early transition metal thiolate.
• Authors of publication: Chen, Tzu-Tso; Chen, Yu-Sen; Chang, Ya-Ho; Wang, Jung-Ching; Tsai, Yi-Fang; Lee, Gene-Hsiang; Kuo, Tin-Shen; Hsu, Hua-Fen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1109 - 1111
• a: 13.2824 ± 0.0002 Å
• b: 16.9608 ± 0.0003 Å
• c: 20.7372 ± 0.0003 Å
• α: 80.6212 ± 0.0011°
• β: 86.5684 ± 0.0012°
• γ: 70.7773 ± 0.0007°
• Cell volume: 4352.15 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0956
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108811
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No