Information card for entry 4115980

Structure parameters

• Common name: Iodo[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron
• Chemical name: Iodo[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron
• Formula: C90 H96 Cl12 Fe2 I2 P2 S6 Si6
• Calculated formula: C84 H88 Cl10 Fe2 I2 P2 S6 Si6
• Title of publication: Five-Coordinate Diamagnetic Iron(IV) Complexes With A Trigonal Planar Arrangement of Thiolate Ligand Atoms: Synthesis and Crystal Structure of [FeX(PS3)] (X = Cl, Br or I; PS3H3= [P(C'''6H3-3-Me3Si-2-SH)3])
• Authors of publication: Jodi D. Niemoth-Anderson; Kerry A. (Fusie) Clark; T. Adrian George; Charles R. Ross
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 3977 - 3978
• a: 31.317 ± 0.006 Å
• b: 16.919 ± 0.003 Å
• c: 21.301 ± 0.004 Å
• α: 90°
• β: 112.21 ± 0.03°
• γ: 90°
• Cell volume: 10449 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.2083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No