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Information card for entry 2019554
Preview
| Coordinates | 2019554.cif |
|---|---|
| Structure factors | 2019554.hkl |
| Original IUCr paper | HTML |
| Chemical name | Caesium bis{[2-(3-ethoxy-2-oxidobenzylidene)hydrazin-1-ylidene](methylamino)methanethiolato-κ^2^<i>O</i>^2^,<i>N</i>^1^,<i>S</i>}ferrate(III) methanol monosolvate |
|---|---|
| Formula | C23 H30 Cs Fe N6 O5 S2 |
| Calculated formula | C23 H30 Cs Fe N6 O5 S2 |
| Title of publication | Fe^III^ in a low-spin state in caesium bis[3-ethoxysalicylaldehyde 4-methylthiosemicarbazonato(2‒)-κ^3^<i>O</i>^2^,<i>N</i>^1^,<i>S</i>]ferrate(III) methanol monosolvate |
| Authors of publication | Powell, Robyn E.; Schwalbe, Carl H.; Tizzard, Graham J.; van Koningsbruggen, Petra J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | 595 - 598 |
| a | 8.486 ± 0.003 Å |
| b | 9.078 ± 0.003 Å |
| c | 19.875 ± 0.007 Å |
| α | 100.629 ± 0.005° |
| β | 91.549 ± 0.005° |
| γ | 113.674 ± 0.005° |
| Cell volume | 1369.5 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0761 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1135 |
| Weighted residual factors for all reflections included in the refinement | 0.1216 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.915 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181865 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/95. |
2019554.cif 2019554.hkl |
| 180863 | 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 2/01/95. |
2019554.cif 2019554.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. |
2019554.cif 2019554.hkl |
| 119348 | 2014-07-05 | cif/ Updating files of 2019554 Original log message: Adding full bibliography for 2019554.cif. |
2019554.cif 2019554.hkl |
| 113923 | 2014-05-18 | cif/ hkl/ Adding structures of 2019554 via cif-deposit CGI script. |
2019554.cif 2019554.hkl |
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