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Information card for entry 2237553
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| Coordinates | 2237553.cif |
|---|---|
| Structure factors | 2237553.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[bis(diphenylthiophosphinoyl)methyl]lithium(I) benzene monosolvate |
|---|---|
| Formula | C41 H35 Li N2 P2 S2 |
| Calculated formula | C41 H35 Li N2 P2 S2 |
| SMILES | c1cccc2c3cccc[n]3[Li]3([n]12)[S]=P(c1ccccc1)(c1ccccc1)C=P(c1ccccc1)(c1ccccc1)S3.c1ccccc1 |
| Title of publication | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[bis(diphenylthiophosphinoyl)methyl]lithium(I) benzene monosolvate |
| Authors of publication | Ren, Wenshan; Chantrapromma, Suchada; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | m160 - m161 |
| a | 10.7654 ± 0.0011 Å |
| b | 13.1295 ± 0.0012 Å |
| c | 13.5498 ± 0.0011 Å |
| α | 90.746 ± 0.002° |
| β | 101.902 ± 0.001° |
| γ | 109.257 ± 0.002° |
| Cell volume | 1762.3 ± 0.3 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 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 | 0.0662 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1054 |
| Weighted residual factors for all reflections included in the refinement | 0.1148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181297 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/75. |
2237553.cif 2237553.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237553.cif 2237553.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237553.cif 2237553.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237553.cif 2237553.hkl |
| 78849 | 2013-04-02 | cif/ Adding structures of 2237553 via cif-deposit CGI script. |
2237553.cif |
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Users of the data should acknowledge the original authors of the
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