Information card for entry 7108810

Structure parameters

• Formula: C55 H74 P2 S6 Si6 V
• Calculated formula: C55 H74 P2 S6 Si6 V
• SMILES: [V]12345(Sc6c([P]3(c3c(S4)c([Si](C)(C)C)ccc3)c3cccc([Si](C)(C)C)c3S1)cccc6[Si](C)(C)C)[S]1c3c([P]2(c2c(S5)c([Si](C)(C)C)ccc2)c2c(SC1)c([Si](C)(C)C)ccc2)cccc3[Si](C)(C)C
• 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: Tzu-Tso Chen; Yu-Sen Chen; Ya-Ho Chang; Jung-Ching Wang; Yi-Fang Tsai; Gene-Hsiang Lee; Tin-Shen Kuo; Hua-Fen Hsu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1109 - 1111
• a: 26.551 ± 0.008 Å
• b: 11.965 ± 0.004 Å
• c: 21.288 ± 0.006 Å
• α: 90°
• β: 104.204 ± 0.005°
• γ: 90°
• Cell volume: 6556 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1902
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No