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Information card for entry 2018685
Preview
| Coordinates | 2018685.cif |
|---|---|
| Structure factors | 2018685.hkl |
| Original IUCr paper | HTML |
| Chemical name | [bis(pyridin-2-ylmethyl)(quinolin-2-ylmethyl)amine- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']bis(thiocyanato- κ<i>S</i>)iron(II) |
|---|---|
| Formula | C24 H20 Fe N6 S2 |
| Calculated formula | C24 H20 Fe N6 S2 |
| SMILES | [Fe]123([n]4ccccc4C[N]3(Cc3[n]1cccc3)Cc1[n]2c2ccccc2cc1)(N=C=S)N=C=S |
| Title of publication | Magnetic properties of a mononuclear iron(II) complex with a typical FeN~6~ coordination octahedron |
| Authors of publication | Yu, Fan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | m287 - m290 |
| a | 12.2292 ± 0.0007 Å |
| b | 11.835 ± 0.0006 Å |
| c | 16.9729 ± 0.0008 Å |
| α | 90° |
| β | 95.293 ± 0.005° |
| γ | 90° |
| Cell volume | 2446.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0892 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.811 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180855 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/86. |
2018685.cif 2018685.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2018685.cif 2018685.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018685.cif 2018685.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018685.cif 2018685.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2018685.cif 2018685.hkl |
| 70313 | 2012-12-21 | cif/ Adding structures of 2018685 via cif-deposit CGI script. |
2018685.cif |
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