Information card for entry 1518917

Structure parameters

• Formula: C51 H96 Br4 Cl4 P6 S4 W3
• Calculated formula: C51 H96 Br4 Cl4 P6 S4 W3
• SMILES: [W]12345([W]678([W]91(Br)([S]26)(S7)(S4)[P]1([C@@H](C)CC[C@@H]1C)CC[P]19[C@@H](C)CC[C@@H]1C)(Br)(S3)[P]1([C@@H](C)CC[C@@H]1C)CC[P]18[C@@H](C)CC[C@@H]1C)(Br)[P]1([C@@H](C)CC[C@@H]1C)CC[P]15[C@@H](C)CC[C@@H]1C.[Br-].ClCCl.ClCCl.Cc1ccccc1
• Title of publication: Enantioselective synthesis of tungsten trimetallic cluster chalcogenides
• Authors of publication: Eva M. Guillamon; Marta Blasco; Rosa Llusar
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 248 - 253
• a: 11.97738 ± 0.00016 Å
• b: 19.6767 ± 0.0003 Å
• c: 14.88601 ± 0.00019 Å
• α: 90°
• β: 98.107 ± 0.0012°
• γ: 90°
• Cell volume: 3473.2 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No