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Information card for entry 7014378
Preview
| Coordinates | 7014378.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H64 Li2 N4 P2 S2 Si4 |
|---|---|
| Calculated formula | C24 H64 Li2 N4 P2 S2 Si4 |
| SMILES | [Li]123[N]([Si](C)(C)C)=S([C@@H](C)[P]1(CC)CC)[N]2([Si](C)(C)C)[Li]12[N]([Si](C)(C)C)=S([C@H](C)[P]1(CC)CC)[N]23[Si](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 | 10.6002 ± 0.0006 Å |
| b | 10.635 ± 0.001 Å |
| c | 10.7744 ± 0.0006 Å |
| α | 100.785 ± 0.001° |
| β | 117.366 ± 0.001° |
| γ | 103.446 ± 0.001° |
| Cell volume | 986.48 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0299 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.0768 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179847 (current) | 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. |
7014378.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014378.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014378.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. |
7014378.cif |
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Users of the data should acknowledge the original authors of the
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