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Information card for entry 7211763
Preview
| Coordinates | 7211763.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H50 Cu N2 O2 P3 S2 |
|---|---|
| Calculated formula | C42 H50 Cu N2 O2 P3 S2 |
| SMILES | [Cu]12([S]=P(OC(C)C)(OC(C)C)N=C(S1)Nc1c(cc(cc1C)C)C)[P](CC[P]2(c1ccccc1)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 | 12.7625 ± 0.0005 Å |
| b | 28.9176 ± 0.0012 Å |
| c | 22.7401 ± 0.0008 Å |
| α | 90° |
| β | 96.515 ± 0.003° |
| γ | 90° |
| Cell volume | 8338.3 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1259 |
| Residual factor for significantly intense reflections | 0.0654 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.1179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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. |
7211763.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' |
7211763.cif |
| 92341 | 2014-01-12 | cif/ Adding structures of 7211756, 7211757, 7211758, 7211759, 7211760, 7211761, 7211762, 7211763, 7211764 via cif-deposit CGI script. |
7211763.cif |
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