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Information card for entry 4061854
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| Coordinates | 4061854.cif |
|---|
| Formula | C49 H43 Cl3 Fe2 N7 O4 P3 |
|---|---|
| Calculated formula | C49 H43 Cl3 Fe2 N7 O4 P3 |
| SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)\C=N/N(P1(=NP2(Oc3ccccc3c3c(O2)cccc3)=NP2(Oc3ccccc3c3c(O2)cccc3)=N1)N(\N=C\[c]12[cH]3[Fe]49%10%11%12%131([cH]3[cH]4[cH]29)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)C)C)[cH]1[cH]5[cH]6[cH]7[cH]81.ClC(Cl)Cl |
| Journal of publication | Organometallics |
| Year of publication | 2003 |
| a | 11.2227 ± 0.0016 Å |
| b | 14.214 ± 0.002 Å |
| c | 17.108 ± 0.002 Å |
| α | 101.26 ± 0.01° |
| β | 108.595 ± 0.012° |
| γ | 101.877 ± 0.013° |
| Cell volume | 2429 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| 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. |
4061854.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4061854.cif |
| 1059 | 2010-03-30 | Finished fixing uniq tags with mistakes from unrecognised-tag.lst |
4061854.cif |
| 1043 | 2010-03-18 | Fixed tags from unrecognised-tag list |
4061854.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. |
4061854.cif |
| 108 | 2008-02-09 | Corrected 10 cif files. |
4061854.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/' |
4061854.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4061854.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. |
4061854.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) |
4061854.cif |
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Users of the data should acknowledge the original authors of the
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