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Information card for entry 4061853
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| Coordinates | 4061853.cif |
|---|
| Formula | C60 H62 Fe4 N11 P3 |
|---|---|
| Calculated formula | C60 H62 Fe4 N11 P3 |
| SMILES | [cH]12[cH]3[Fe]4567892([cH]2[cH]5[c]9([cH]8[cH]42)/C=N/N(C)P2(=NP(N(C)\N=C\[c]45[cH]8[Fe]9%10%11%12%13%144([cH]4[cH]9[cH]%11[cH]%12[cH]%104)[cH]8[cH]%13[cH]5%14)(=NP(c4ccccc4)(=N2)c2ccccc2)N(/N=C/[c]24[cH]5[cH]8[cH]9[Fe]%10%11%12%13258([cH]2[cH]%10[cH]%12[cH]%13[cH]%112)[cH]49)C)N(\N=C\[c]24[cH]5[cH]8[cH]9[cH]2[Fe]2%10%11%124589[cH]4[cH]2[cH]%11[cH]%12[cH]%104)C)[cH]1[cH]7[cH]36 |
| Journal of publication | Organometallics |
| Year of publication | 2003 |
| a | 13.006 ± 0.005 Å |
| b | 13.888 ± 0.005 Å |
| c | 17.159 ± 0.005 Å |
| α | 112.821 ± 0.005° |
| β | 95.174 ± 0.005° |
| γ | 92.084 ± 0.005° |
| Cell volume | 2836.5 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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. |
4061853.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4061853.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. |
4061853.cif |
| 922 | 2009-12-09 | cif/ Fixing manually missing braces in series 4, 7 and 8 CIFs. |
4061853.cif |
| 121 | 2008-02-17 | 14 files corrected. File 4000094.cif needs to be splitted into two. Email Salius about this |
4061853.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/' |
4061853.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4061853.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. |
4061853.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) |
4061853.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.