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Information card for entry 4336064
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| Coordinates | 4336064.cif |
|---|---|
| Structure factors | 4336064.hkl |
| Original paper (by DOI) | HTML |
| Formula | C7 H4 Fe N6 S2 |
|---|---|
| Calculated formula | C14 H4 Fe N6 S2 |
| Title of publication | First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition |
| Authors of publication | Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Saul H. Lapidus; Peter W. Stephens; Atta M. Arif; Joel S. Miller |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 10583 - 10594 |
| a | 5.5742 ± 0.0001 Å |
| b | 6.13885 ± 0.00012 Å |
| c | 11.4552 ± 0.0003 Å |
| α | 78.4226 ± 0.0008° |
| β | 80.0358 ± 0.0008° |
| γ | 78.2382 ± 0.0015° |
| Cell volume | 372.365 ± 0.014 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Goodness-of-fit parameter for all reflections | 1.346 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.700154 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181932 (current) | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/33. |
4336064.cif 4336064.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. |
4336064.cif 4336064.hkl |
| 179463 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/60. |
4336064.cif 4336064.hkl |
| 103164 | 2014-02-25 | hkl/4 Adding Fobs files for entries coming from J. Org. Chem. and Inorg. Chem. 2013 |
4336064.cif 4336064.hkl |
| 102034 | 2014-02-19 | cif/ Adding structures of 4336064 via cif-deposit CGI script. |
4336064.cif |
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Users of the data should acknowledge the original authors of the
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