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Information card for entry 7014375
Preview
| Coordinates | 7014375.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H60 Li2 N4 P2 S2 |
|---|---|
| Calculated formula | C42 H60 Li2 N4 P2 S2 |
| SMILES | [Li]123[P](c4ccccc4)(c4ccccc4)CS(=[N]1C(C)(C)C)[N]2(C(C)(C)C)[Li]12[P](c4ccccc4)(c4ccccc4)CS(=[N]1C(C)(C)C)[N]23C(C)(C)C |
| Title of publication | Access to new Janus head ligands: linking sulfur diimides and phosphanes for hemilabile tripodal scorpionates. |
| Authors of publication | Meinholz, Margret M.; Pandey, Sushil K.; Deuerlein, Stephan M.; Stalke, Dietmar |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 8 |
| Pages of publication | 1662 - 1671 |
| a | 9.6236 ± 0.0011 Å |
| b | 10.1512 ± 0.0012 Å |
| c | 11.3253 ± 0.0013 Å |
| α | 73.936 ± 0.002° |
| β | 84.728 ± 0.002° |
| γ | 88.96 ± 0.002° |
| Cell volume | 1058.7 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0564 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
7014375.cif |
| 179847 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/43. |
7014375.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014375.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014375.cif |
| 14740 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014374, 7014375, 7014376, 7014377, 7014378, 7014379, 7014380, 7014381, 7014382 via cif-deposit CGI script. |
7014375.cif |
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Users of the data should acknowledge the original authors of the
structural data.