Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7037118
Preview
| Coordinates | 7037118.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45.5 H47 As O0.5 P S2 |
|---|---|
| Calculated formula | C44 H44 As P S2 |
| SMILES | [As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.P1(=S)([S-])c2cc(ccc2c2ccc(cc12)C(C)(C)C)C(C)(C)C |
| 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 | 12.5652 ± 0.0013 Å |
| b | 13.0602 ± 0.0014 Å |
| c | 14.2301 ± 0.0015 Å |
| α | 110.587 ± 0.001° |
| β | 91.766 ± 0.001° |
| γ | 114.432 ± 0.001° |
| Cell volume | 1947.3 ± 0.4 Å3 |
| Cell temperature | 140 ± 1 K |
| Ambient diffraction temperature | 140 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0415 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0614 |
| Weighted residual factors for all reflections included in the refinement | 0.0627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.41 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7037118.cif |
| 170203 | 2015-11-07 | cif/ Adding structures of 7037115, 7037116, 7037117, 7037118, 7037119, 7037120, 7037121 via cif-deposit CGI script. |
7037118.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.