Information card for entry 7027175

Structure parameters

• Formula: C23 H25 Fe P S2
• Calculated formula: C23 H25 Fe P S2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)P(=S)(SCc1ccccc1)/C=C(C(=C)C)/C)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: The reaction of dithiadiphosphetane disulfides with dienes, alkenes and thioaldehydes
• Authors of publication: St. John Foreman, Mark R.; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 7
• Pages of publication: 1175
• a: 10.7076 ± 0.0009 Å
• b: 11.361 ± 0.001 Å
• c: 9.533 ± 0.001 Å
• α: 105.7 ± 0.008°
• β: 94.633 ± 0.008°
• γ: 76.127 ± 0.007°
• Cell volume: 1083.69 ± 0.18 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections included in the refinement: 2.23
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No