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Information card for entry 2019826
Preview
| Coordinates | 2019826.cif |
|---|---|
| Structure factors | 2019826.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Acetone-κ<i>O</i>)tris(μ-ferrocene-1,1'-dicarbonitrile-κ^2^<i>N</i>:<i>N</i>')dicopper(I) bis(tetrafluoridoborate) acetone monosolvate |
|---|---|
| Formula | C42 H36 B2 Cu2 F8 Fe3 N6 O2 |
| Calculated formula | C42 H36 B2 Cu2 F8 Fe3 N6 O2 |
| Title of publication | Crystal structure of paddle-wheel sandwich-type [Cu2{(CH3)2CO}{μ-Fe(η5-C5H4C[triple-bond]N)2}3](BF4)2·(CH3)2CO |
| Authors of publication | Strehler, Frank; Korb, Marcus; Lang, Heinrich |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 244 |
| a | 7.9947 ± 0.0006 Å |
| b | 13.9384 ± 0.0018 Å |
| c | 19.923 ± 0.002 Å |
| α | 72.942 ± 0.01° |
| β | 82.968 ± 0.007° |
| γ | 87.936 ± 0.008° |
| Cell volume | 2106.5 ± 0.4 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0441 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.1071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019826.cif 2019826.hkl |
| 180866 | 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 2/01/98. |
2019826.cif 2019826.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019826.cif 2019826.hkl |
| 130251 | 2015-02-01 | cif/ hkl/ Adding structures of 2019826 via cif-deposit CGI script. |
2019826.cif 2019826.hkl |
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Users of the data should acknowledge the original authors of the
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