Information card for entry 7017370

Structure parameters

• Formula: C70 H77 B F4 N2 O2 P4 S2 W
• Calculated formula: C70 H77 B F4 N2 O2 P4 S2 W
• SMILES: [W]1234(SC(=[S]1)Nc1ccc(cc1)C)([P](CC[P@@]2(c1c([P@@]3(CC[P]4(c2ccccc2)c2ccccc2)c2ccccc2)cccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[N]c1ccc(cc1)C.[B](F)(F)(F)[F-].O(CC)CC.O(CC)CC
• Title of publication: Transformations of aryl isothiocyanates on tetraphosphine tungsten complexes and reactivity of the resulting dithiocarbonimidate ligand.
• Authors of publication: Dai, Qi Xiu; Seino, Hidetake; Mizobe, Yasushi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11822 - 11830
• a: 11.907 ± 0.002 Å
• b: 15.051 ± 0.002 Å
• c: 19.189 ± 0.003 Å
• α: 77.147 ± 0.005°
• β: 89.331 ± 0.005°
• γ: 76.838 ± 0.005°
• Cell volume: 3261.9 ± 0.9 ų
• Cell temperature: 113.1 K
• Ambient diffraction temperature: 113.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No