Information card for entry 7017368

Structure parameters

• Formula: C66 H64 N2 O P4 S2 W
• Calculated formula: C66 H64 N2 O P4 S2 W
• SMILES: [W]1234(SC(S1)=Nc1ccc(cc1)C)([P](CC[P@]2(c1ccccc1[P@]3(CC[P]4(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[N]c1ccc(cc1)C.O1CCCC1
• 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: 16.2994 ± 0.0017 Å
• b: 14.9184 ± 0.0015 Å
• c: 23.741 ± 0.002 Å
• α: 90°
• β: 98.941 ± 0.0004°
• γ: 90°
• Cell volume: 5702.7 ± 1 ų
• Cell temperature: 113.1 K
• Ambient diffraction temperature: 113.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No