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Information card for entry 7111711
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| Coordinates | 7111711.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H58 Cl6 Fe N4 O6 P2 Sn2 |
|---|---|
| Calculated formula | C40 H58 Cl6 Fe N4 O6 P2 Sn2 |
| Title of publication | Iron(ii)‒bis(isonitrile) complexes: novel catalysts in asymmetric transfer hydrogenations of aromatic and heteroaromatic ketones |
| Authors of publication | Naik, Anu; Maji, Tapan; Reiser, Oliver |
| Journal of publication | Chemical Communications |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 25 |
| Pages of publication | 4475 - 4477 |
| a | 11.1616 ± 0.0018 Å |
| b | 21.663 ± 0.005 Å |
| c | 11.904 ± 0.0016 Å |
| α | 90° |
| β | 101.547 ± 0.017° |
| γ | 90° |
| Cell volume | 2820.1 ± 0.9 Å3 |
| Cell temperature | 297 K |
| Ambient diffraction temperature | 297 ± 1 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1202 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1286 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.832 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180231 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/17. |
7111711.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7111711.cif |
| 96744 | 2014-01-29 | cif/ Adding structures of 7111711 via cif-deposit CGI script. |
7111711.cif |
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Users of the data should acknowledge the original authors of the
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