Information card for entry 7050353

Structure parameters

• Formula: C20 H23 Fe O P S2
• Calculated formula: C20 H23 Fe O P S2
• Title of publication: Synthesis and Characterisation of disulfides and esters derived from their sodium organodithiophosphonate salts.
• Authors of publication: Derek Woollins; Ian P. Gray; Alexandra M. Z. Slawin
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 14.411 ± 0.002 Å
• b: 12.2057 ± 0.0017 Å
• c: 11.357 ± 0.0016 Å
• α: 90°
• β: 96.061 ± 0.002°
• γ: 90°
• Cell volume: 1986.5 ± 0.5 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0267
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No