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Information card for entry 1557216
Preview
Coordinates | 1557216.cif |
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Original paper (by DOI) | HTML |
Common name | 1,2-Bis[bis(2-methylthiophenyl)phosphino]ethane |
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Formula | C30 H32 P2 S4 |
Calculated formula | C30 P2 S4 |
SMILES | P(CCP(c1c(SC)cccc1)c1c(SC)cccc1)(c1c(SC)cccc1)c1c(SC)cccc1 |
Title of publication | X-Ray Crystal Structure of 1,2-Bis[bis(2-methylthiophenyl)phosphino]ethane |
Authors of publication | Laitinen, Riitta H.; Losonczi, Judit; Pursiainen, Jouni; Ahlgren, Markku |
Journal of publication | Acta Chemica Scandinavica |
Year of publication | 1997 |
Journal volume | 51 |
Pages of publication | 804 - 806 |
a | 13.586 ± 0.003 Å |
b | 7.729 ± 0.002 Å |
c | 15.57 ± 0.005 Å |
α | 90° |
β | 112.95 ± 0.02° |
γ | 90° |
Cell volume | 1505.5 ± 0.7 Å3 |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.056 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.31 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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247549 (current) | 2020-02-04 | cif/ Adding structures of 1557216 via cif-deposit CGI script. |
1557216.cif |
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