Information card for entry 4320989

Structure parameters

• Common name: m-2,2'-dithioperoxodiphenyl-1kC,2kC-bis[(2,2'-dithioperoxodiphenyl-k2C)phosp hine oxide]
• Chemical name: m-2,2'-dithioperoxodiphenyl-1kC,2kC-bis[(2,2'-dithioperoxodiphenyl-k2C)phosp hine oxide]
• Formula: C41 H29 N O2 P2 S6
• Calculated formula: C41 H29 N O2 P2 S6
• SMILES: c1(ccccc1P1(=O)c2c(cccc2)SSc2ccccc12)SSc1c(cccc1)P1(=O)c2ccccc2SSc2c1cccc2.c1ncccc1
• Title of publication: Synthesis, Characterization, Crystal Structures, and Reactions of Trigonal Bipyramidal Tin(IV) Complexes Containing a Tetradentate Tripodal Tristhiolatophosphine Ligand. Use in the One-Step Synthesis of an Iron(IV) Complex
• Authors of publication: Kerry A. (Fusie) Clark; T. Adrian George; Tom J. Brett; Charles R. Ross; Richard K. Shoemaker
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2252 - 2253
• a: 9.943 ± 0.002 Å
• b: 13.408 ± 0.003 Å
• c: 28.629 ± 0.006 Å
• α: 90°
• β: 96.3 ± 0.03°
• γ: 90°
• Cell volume: 3793.6 ± 1.4 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 all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.254
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No