Information card for entry 7027594

Structure parameters

• Formula: C22 H21 Fe N2 P S
• Calculated formula: C22 H21 Fe N2 P S
• SMILES: [Fe]12345678([c]9(P(=S)(Nc%10ccccc%10)Nc%10ccccc%10)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Reactions of dithiadiphosphetane disulfides with organonitrogen compounds †
• Authors of publication: St John Foreman, Mark; Mortimer, Roger J.; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 19
• Pages of publication: 3419
• a: 9.568 ± 0.002 Å
• b: 12.6641 ± 0.0009 Å
• c: 16.383 ± 0.002 Å
• α: 90.007 ± 0.009°
• β: 92.24 ± 0.01°
• γ: 90.01 ± 0.01°
• Cell volume: 1983.6 ± 0.5 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 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 significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.984
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No