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Information card for entry 8100055
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| Coordinates | 8100055.cif |
|---|
| Common name | tetra(5'-methyl-2'-thienyl)porphyrin |
|---|---|
| Formula | C40 H30 N4 S4 |
| Calculated formula | C39.98 H30 N4 S3.996 |
| Title of publication | Crystal structure of 5,10,15,20-tetrakis(5'-methylthien-2'-yl)porphyrin, C~40~H~30~N~4~S~4~ |
| Authors of publication | Belizzi, Mary; Foss, Paul C. D.; Pelto, Ryan; Crundwell, Guy; Brückner, Christian; Updegraff, III, James B.; Zeller, Matthias; Hunter, Allen D. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2004 |
| Journal volume | 219 |
| Journal issue | 2 |
| Pages of publication | 129 - 131 |
| a | 6.5126 ± 0.0007 Å |
| b | 10.4988 ± 0.0012 Å |
| c | 12.635 ± 0.0014 Å |
| α | 87.818 ± 0.002° |
| β | 79.141 ± 0.002° |
| γ | 86.737 ± 0.002° |
| Cell volume | 846.74 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277875 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
8100055.cif |
| 106806 | 2014-03-17 | cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8100055.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8100055.cif |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
8100055.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. |
8100055.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/' |
8100055.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8100055.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. |
8100055.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) |
8100055.cif |
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Users of the data should acknowledge the original authors of the
structural data.