Information card for entry 4115981

Structure parameters

• Common name: Chloro[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron
• Chemical name: Chloro[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron
• Formula: C27 H36 Cl Fe P S3 Si3
• Calculated formula: C37.68 H36 Cl Fe P S3 Si3
• 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: 20.471 ± 0.001 Å
• b: 20.471 ± 0.001 Å
• c: 20.471 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8578.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.09
• Goodness-of-fit parameter for all reflections: 1.086
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No