Information card for entry 4320991

Structure parameters

• Common name: Phenyl[tris(2-thio-5-methylphenyl-k3S)phosphine-kP]tin
• Chemical name: Phenyl[tris(2-thio-5-methylphenyl-k3S)phosphine-kP]tin
• Formula: C27 H23 P S3 Sn
• Calculated formula: C27 H23 P S3 Sn
• SMILES: [Sn]123([P](c4c(S1)ccc(c4)C)(c1c(S2)ccc(c1)C)c1c(S3)ccc(c1)C)c1ccccc1
• 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: 10.641 ± 0.002 Å
• b: 15.354 ± 0.003 Å
• c: 15.384 ± 0.003 Å
• α: 90°
• β: 91.85 ± 0.03°
• γ: 90°
• Cell volume: 2512.2 ± 0.8 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: 0.0454
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No