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Information card for entry 2230442
Preview
| Coordinates | 2230442.cif |
|---|---|
| Structure factors | 2230442.hkl |
| Original IUCr paper | HTML |
| Chemical name | dicarbonyl-3κ^2^<i>C</i>-(μ~3~-3,6-dimethyl- 3,6-diazaoctane-1,8-dithiolato- 1:2:3κ^7^<i>S</i>:<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>':<i>S</i>, <i>S</i>')(μ~2~-3,6-dimethyl-3,6-diazaoctane-1,8-dithiolato- 1:2κ^5^<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>':<i>S</i>)-1,2-diiron(II)- 3-nickel(0) |
|---|---|
| Formula | C18 H36 Fe2 N4 Ni O2 S4 |
| Calculated formula | C18 H36 Fe2 N4 Ni O2 S4 |
| Title of publication | A trinuclear Fe‒Fe‒Ni complex formed by ligand reshuffling |
| Authors of publication | Peleg, Ariel; Lo, Wenfeng; Jiang, Jianfeng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m766 - m767 |
| a | 8.4051 ± 0.0003 Å |
| b | 12.7146 ± 0.0005 Å |
| c | 13.3451 ± 0.0005 Å |
| α | 70.475 ± 0.001° |
| β | 83.208 ± 0.001° |
| γ | 79.309 ± 0.001° |
| Cell volume | 1318.38 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0276 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.0532 |
| Weighted residual factors for all reflections included in the refinement | 0.0557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181226 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/04. |
2230442.cif 2230442.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2230442.cif 2230442.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230442.cif 2230442.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. | 2230442.cif 2230442.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230442.cif 2230442.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230442.cif 2230442.hkl |
| 22429 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230442 via cif-deposit CGI script. |
2230442.cif |
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Users of the data should acknowledge the original authors of the
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