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Information card for entry 4115979
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Coordinates | 4115979.cif |
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Original paper (by DOI) | HTML |
Common name | Bromo[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron |
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Chemical name | Bromo[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron |
Formula | C37.25 H46.25 Br Fe P S3 Si3 |
Calculated formula | C37.2 H36 Br 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 | 20.623 Å |
b | 20.623 Å |
c | 20.623 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8771.13 Å3 |
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 | 0.0673 |
Residual factor for significantly intense reflections | 0.0604 |
Weighted residual factors for significantly intense reflections | 0.1528 |
Weighted residual factors for all reflections included in the refinement | 0.1624 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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