Information card for entry 7027177

Structure parameters

• Formula: C20 H29 Fe P S4
• Calculated formula: C20 H29 Fe P S4
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)P1(=S)S[C@@H](S[C@@H](S1)C(C)(C)C)C(C)(C)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 12.0594 ± 0.0009 Å
• b: 18.3884 ± 0.0013 Å
• c: 11.6422 ± 0.0008 Å
• α: 90°
• β: 114.602 ± 0.001°
• γ: 90°
• Cell volume: 2347.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0446
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.0766
• Goodness-of-fit parameter for all reflections: 1.155
• Goodness-of-fit parameter for significantly intense reflections: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No