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Information card for entry 7211757
Preview
| Coordinates | 7211757.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H50 Cu N2 O2 P3 S2 |
|---|---|
| Calculated formula | C45 H50 Cu N2 O2 P3 S2 |
| SMILES | [Cu]1([S]=P(N=C(S1)N(C)C)(OC(C)C)OC(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence |
| Authors of publication | Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 1 |
| Pages of publication | 134 |
| a | 12.7328 ± 0.0008 Å |
| b | 21.3708 ± 0.0012 Å |
| c | 16.9009 ± 0.001 Å |
| α | 90° |
| β | 105.617 ± 0.005° |
| γ | 90° |
| Cell volume | 4429.1 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0324 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0786 |
| Weighted residual factors for all reflections included in the refinement | 0.0795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180448 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/17. |
7211757.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7211757.cif |
| 92341 | 2014-01-12 | cif/ Adding structures of 7211756, 7211757, 7211758, 7211759, 7211760, 7211761, 7211762, 7211763, 7211764 via cif-deposit CGI script. |
7211757.cif |
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