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Information card for entry 8101414
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Coordinates | 8101414.cif |
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Formula | C29 H38 Ce N5 O4 S3 |
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Calculated formula | C29 H38 Ce N5 O4 S3 |
SMILES | [Ce]12345([O]6CC[N]4(Cc4ccccc4)CC[O]3CC[O]2CC[N]5(CC[O]1CC6)Cc1ccccc1)(N=C=S)(N=C=S)N=C=S |
Title of publication | Crystal structure of N,N'-dibenzyl-1,14,10,13-tetraoxa-7,16- diazacyclooctadecane cerium(III) thiocyanate, C~29~H~38~CeN~5~O~4~S~3~ |
Authors of publication | Saleh, Muhammad Idiris; Salhin, Abdussalam; Talipov, Samat; Saad, Bahruddin; Fun, Hoong-Kun; Razak Ibrahim, Abdul |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 1999 |
Journal volume | 214 |
Journal issue | 1 |
Pages of publication | 45 - 46 |
a | 15.597 ± 0.002 Å |
b | 9.688 ± 0.001 Å |
c | 21.931 ± 0.003 Å |
α | 90° |
β | 94.17 ± 0.01° |
γ | 90° |
Cell volume | 3305.1 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0808 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101414.cif |
102498 | 2014-02-20 | cif/8/10/ (antanas@lokys.ibt.lt) Adding bibliographic information: issue, first page, last page. |
8101414.cif |
100391 | 2014-02-05 | cif/8/10/ (antanas@lokys.ibt.lt) Adding issue and volume numbers. |
8101414.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101414.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. |
8101414.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. |
8101414.cif |
853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
8101414.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/' |
8101414.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8101414.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. |
8101414.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) |
8101414.cif |
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Users of the data should acknowledge the original authors of the
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