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Information card for entry 4105339
Preview
| Coordinates | 4105339.cif |
|---|---|
| Structure factors | 4105339.hkl |
| Original paper (by DOI) | HTML |
| Common name | ClBPSSEt |
|---|---|
| Formula | C7 H5 Cl N3 Se4 |
| Calculated formula | C7 H5 Cl N3 Se4 |
| SMILES | C12=N[Se][Se]C1=C(C1[Se][Se][N]C=1N2CC)Cl |
| Title of publication | Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response |
| Authors of publication | Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 16012 - 16013 |
| a | 15.90088 ± 0.00027 Å |
| b | 15.90088 Å |
| c | 3.80246 ± 0.00008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 961.41 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 113 |
| Hermann-Mauguin space group symbol | P -4 21 m |
| Hall space group symbol | P -4 2ab |
| RFsqd | 0.09667 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.51446 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181928 (current) | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/10. |
4105339.cif 4105339.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. |
4105339.cif 4105339.hkl |
| 178799 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/53. |
4105339.cif 4105339.hkl |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105339.cif 4105339.hkl |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105339.cif 4105339.hkl |
| 34320 | 2012-02-24 | hkl/ Reorganizing all Fobs directories (.hkl files) into a prefix tree directory. |
4105339.cif 4105339.hkl |
| 30534 | 2011-11-13 | ../uploads/cif-deposit/cod/cif ../uploads/cif-deposit/cod/hkl Adding structures of 4105339 via cif-deposit CGI script. |
4105339.cif 4105339.hkl |
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Users of the data should acknowledge the original authors of the
structural data.