Crystallography Open Database

Information card for entry 4300701

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Coordinates	4300701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 Hg2 I4 N2 S2
Calculated formula	C18 H26 Hg2 I4 N2 S2
SMILES	c1(ccc(cc1)[N+](C)(C)C)S[Hg]([I][Hg](I)(I)I)Sc1ccc(cc1)[N+](C)(C)C
Journal of publication	Inorganic Chemistry
Year of publication	2006
a	16.791 ± 0.003 Å
b	10.85 ± 0.002 Å
c	9.057 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1650 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277859 (current)	2022-09-15	cif/ Added space group information derived from the space group operation list using the 'cif_filter' program.	4300701.cif
134573	2015-04-01	cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values.	4300701.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4300701.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4300701.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.	4300701.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/'	4300701.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4300701.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.	4300701.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)	4300701.cif