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Information card for entry 4100988
Preview
| Coordinates | 4100988.cif |
|---|
| Formula | C62 H65 Cl2 Fe2 N2 Ni O8 P3 |
|---|---|
| Calculated formula | C62 H65 Cl2 Fe2 N2 Ni O8 P3 |
| SMILES | [Ni]12([P]([c]34[Fe]56789%10%11([c]3([cH]6[cH]8[cH]4%10)[C@H]([P]1([C@H](C)[c]13[cH]4[Fe]68%10%12%13%141([c]3([P]2(c1ccccc1)c1ccccc1)[cH]6[cH]4%10)[cH]1[cH]%14[cH]%13[cH]%12[cH]81)C1CCCCC1)C)[cH]1[cH]5[cH]7[cH]9[cH]%111)(c1ccccc1)c1ccccc1)[N]#CC(=C)C.N#CC(=C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | 3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors |
| Authors of publication | Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2005 |
| a | 14.244 ± 0.007 Å |
| b | 19.825 ± 0.01 Å |
| c | 19.945 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5632 ± 5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4100988.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4100988.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4100988.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4100988.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4100988.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4100988.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4100988.cif |
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Users of the data should acknowledge the original authors of the
structural data.