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Information card for entry 8101912
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| Coordinates | 8101912.cif |
|---|
| Chemical name | bis(2,2'-biimidazol-1-ium) tetrachloroferrate(III) chloride |
|---|---|
| Formula | C12 H14 Cl5 Fe N8 |
| Calculated formula | C12 H14 Cl5 Fe N8 |
| SMILES | [Fe](Cl)(Cl)(Cl)[Cl-].[Cl-].[nH]1ccnc1c1[nH]cc[nH+]1.n1c([nH]cc1)c1[nH]cc[nH+]1 |
| Title of publication | Crystal structure of bis(2,2'-biimidazol-1-ium) tetra-chloroferrate (III) chloride, (C~6~H~7~N~4~)~2~[FeCl~4~]Cl |
| Authors of publication | Hu, M.-L.; Chen, F. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 1 |
| Pages of publication | 47 - 48 |
| a | 7.1902 ± 0.0005 Å |
| b | 12.7155 ± 0.0009 Å |
| c | 21.7528 ± 0.0016 Å |
| α | 90° |
| β | 96.405 ± 0.001° |
| γ | 90° |
| Cell volume | 1976.4 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0979 |
| Residual factor for significantly intense reflections | 0.085 |
| Weighted residual factors for significantly intense reflections | 0.16 |
| Weighted residual factors for all reflections included in the refinement | 0.1656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.323 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101912.cif |
| 107946 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101912.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101912.cif |
| 12651 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101912 via cif-deposit CGI script. |
8101912.cif |
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