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Information card for entry 1001668
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| Coordinates | 1001668.cif |
|---|
| Chemical name | Carbon cyclo-octasulfur (76.6/6) |
|---|---|
| Formula | C76.039 S48 |
| Calculated formula | C76.59 S48 |
| SMILES | S1SSSSSSS1.S1SSSSSSS1.S1SSSSSSS1.S1SSSSSSS1.S1SSSSSSS1.S1SSSSSSS1.c12c3c4c5c6c7c3c3c8c1c1c9c%10c2c2c4c4c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%17c%14c%14c%12c(c%12c%14c%21c%14c%20c%17c%20c(c%21c8c1c1c8c%21c(c%18c%18c%16c%16c%21c%15c%13c%13c%11c2c2c%13c%21c%11c%16c(c8%18)c1c9c%11c%102)c%19%20)c3c%17c7c%14c6%12)c54 |
| Title of publication | Preparation and Crystal Structure of C76(S8)6: A First Step towards the Crystallography of Higher Fullerenes |
| Authors of publication | Michel, R H; Kappes, M M; Adelmann, P; Roth, G |
| Journal of publication | Angewandte Chemie (German Edition) |
| Year of publication | 1994 |
| Journal volume | 106 |
| Pages of publication | 1742 - 1746 |
| a | 10.41 ± 0.003 Å |
| b | 20.5 ± 0.006 Å |
| c | 19.48 ± 0.005 Å |
| α | 90° |
| β | 98.8 ± 0.1° |
| γ | 90° |
| Cell volume | 4108.2 Å3 |
| Number of distinct elements | 2 |
| Space group number | 8 |
| Hermann-Mauguin space group symbol | C 1 m 1 |
| Hall space group symbol | C -2y |
| Residual factor for all reflections | 0.0634 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1001668.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1001668.cif |
| 85286 | 2013-05-06 | Fixed additional structures by Luca | 1001668.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1001668.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. |
1001668.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/' |
1001668.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1001668.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. |
1001668.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) |
1001668.cif |
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