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Information card for entry 4317511
Preview
Coordinates | 4317511.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H30 Cl2 Fe P2 S4 W |
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Calculated formula | C28 H30 Cl2 Fe P2 S4 W |
SMILES | [W]123([Fe](Cl)(Cl)(S1)S2)(=S)SCC[P]3(C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Trithiotungsten(VI) Complexes Having Phosphine-Thiolate Hybrid Ligands: Synthesis and Cluster Forming Reactions with CuBr, FeCl2, and [Fe(CH3CN)6](ClO4)2 |
Authors of publication | Yasuhiro Arikawa; Hiroyuki Kawaguchi; Kazuo Kashiwabara; Kazuyuki Tatsumi |
Journal of publication | Inorganic Chemistry |
Year of publication | 2002 |
Journal volume | 41 |
Pages of publication | 513 - 520 |
a | 9.3708 ± 0.0005 Å |
b | 17.3605 ± 0.0005 Å |
c | 20.246 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3293.7 ± 0.3 Å3 |
Cell temperature | 173.2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for significantly intense reflections | 0.0637 |
Weighted residual factors for all reflections included in the refinement | 0.0754 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.531 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4317511.cif |
120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4317511.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317511.cif |
12254 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 4317511 via cif-deposit CGI script. |
4317511.cif |
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Users of the data should acknowledge the original authors of the
structural data.