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Information card for entry 4322860
Preview
Coordinates | 4322860.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H47 Cl N O3 P2 Re S2 Si2 |
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Calculated formula | C44 H47 Cl N O3 P2 Re S2 Si2 |
SMILES | [Re]12(Cl)(Sc3c(P(=[O]1)(c1ccccc1)c1ccccc1)cccc3[Si](C)(C)C)(Sc1c(P(=[O]2)(c2ccccc2)c2ccccc2)cccc1[Si](C)(C)C)=O.CC#N |
Title of publication | Synthesis and Characterization of Rhenium Phosphinothiolate Complexes. Crystal and Molecular Structures of [HNEt3][Re{P(C6H4S)3}2], [ReOCl{OP(C6H5)2(C6H4S)}{(P(C6H5)2(C6H4S)}], [Re2O5{P(C6H5)2(C6H4S)}2], and [ReOCl{OP(C6H5)2(2-SC6H3-3-SiMe3)}2] |
Authors of publication | Paulo Perez-Lourido; J. Romero; J. Garcia-Vazquez; Antonio Sousa; Kevin P. Maresca; David J. Rose; Jon Zubieta |
Journal of publication | Inorganic Chemistry |
Year of publication | 1998 |
Journal volume | 37 |
Pages of publication | 3331 - 3336 |
a | 10.1616 ± 0.0002 Å |
b | 14.7095 ± 0.0003 Å |
c | 17.0744 ± 0.0003 Å |
α | 89.108 ± 0.001° |
β | 83.634 ± 0.001° |
γ | 70.901 ± 0.001° |
Cell volume | 2396.21 ± 0.08 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0915 |
Residual factor for significantly intense reflections | 0.0837 |
Weighted residual factors for all reflections | 0.2085 |
Weighted residual factors for significantly intense reflections | 0.2021 |
Goodness-of-fit parameter for all reflections | 1.111 |
Goodness-of-fit parameter for significantly intense reflections | 1.132 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4322860.html
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