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Information card for entry 7037117
Preview
| Coordinates | 7037117.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H28 P2 S2 |
|---|---|
| Calculated formula | C36 H28 P2 S2 |
| SMILES | P1(=S)([S-])c2ccccc2c2ccccc12.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Coordination chemistry of 2,2'-biphenylenedithiophosphinate and diphenyldithiophosphinate with U, Np, and Pu. |
| Authors of publication | Macor, Joseph A.; Brown, Jessie L.; Cross, Justin N.; Daly, Scott R.; Gaunt, Andrew J.; Girolami, Gregory S.; Janicke, Michael T.; Kozimor, Stosh A.; Neu, Mary P.; Olson, Angela C.; Reilly, Sean D.; Scott, Brian L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 43 |
| Pages of publication | 18923 - 18936 |
| a | 11.616 ± 0.004 Å |
| b | 16.103 ± 0.005 Å |
| c | 16.319 ± 0.005 Å |
| α | 90° |
| β | 109.164 ± 0.004° |
| γ | 90° |
| Cell volume | 2883.3 ± 1.6 Å3 |
| Cell temperature | 140 ± 1 K |
| Ambient diffraction temperature | 140 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0613 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0796 |
| Weighted residual factors for all reflections included in the refinement | 0.0863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.198 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary. |
7037117.cif |
| 170203 | 2015-11-07 | cif/ Adding structures of 7037115, 7037116, 7037117, 7037118, 7037119, 7037120, 7037121 via cif-deposit CGI script. |
7037117.cif |
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Users of the data should acknowledge the original authors of the
structural data.