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Information card for entry 4121256
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| Coordinates | 4121256.cif |
|---|---|
| Structure factors | 4121256.hkl |
| Original paper (by DOI) | HTML |
| Common name | Lithium TCNE |
|---|---|
| Formula | C6 Li N4 |
| Calculated formula | C6 Li N4 |
| Title of publication | Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure |
| Authors of publication | Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2013 |
| Journal volume | 135 |
| Pages of publication | 18060 - 18063 |
| a | 5.4328 ± 0.00054 Å |
| b | 5.41122 ± 0.00058 Å |
| c | 11.9143 ± 0.0015 Å |
| α | 90° |
| β | 107.696 ± 0.0049° |
| γ | 90° |
| Cell volume | 333.69 ± 0.07 Å3 |
| Cell temperature | 16 K |
| Ambient diffraction temperature | 16 K |
| Number of distinct elements | 3 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor R(I) for significantly intense reflections | 0.019 |
| Goodness-of-fit parameter for all reflections | 1.45 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.700296 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181930 (current) | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/12. |
4121256.cif 4121256.hkl |
| 180708 | 2016-04-02 | hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4121256.cif 4121256.hkl |
| 180700 | 2016-04-02 | cod/ (antanas@echidna.ibt.lt) Setting the 'svn:keywords' property for all '*.hkl' files that were previously unaffected by this property. |
4121256.cif 4121256.hkl |
| 179014 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/12. |
4121256.cif 4121256.hkl |
| 107629 | 2014-03-20 | hkl/4 Insert experimental data from SHELX-13 generated files for JACS-2013 entries. |
4121256.cif 4121256.hkl |
| 107437 | 2014-03-19 | cif/ Adding structures of 4121256 via cif-deposit CGI script. |
4121256.cif |
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Users of the data should acknowledge the original authors of the
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