Information card for entry 7122874

Structure parameters

• Chemical name: FLG-06
• Formula: C27 H21 Mo O5 P S
• Calculated formula: C27 H21 Mo O5 P S
• Title of publication: Synthesis of free and ligated 1,2-thiaphosphetanes ‒ expanding the pool of strained P-ligands
• Authors of publication: Kyri, Andreas Wolfgang; Gleim, Florian; Becker, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.1584 ± 0.0006 Å
• b: 13.9761 ± 0.0006 Å
• c: 15.1772 ± 0.0008 Å
• α: 90°
• β: 102.748 ± 0.003°
• γ: 90°
• Cell volume: 2515.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No