Crystallography Open Database

Information card for entry 4300696

Preview

Coordinates	4300696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H84 F24 Hg2 N8 P4 S6
Calculated formula	C58 H84 F24 Hg2 N8 P4 S6
Journal of publication	Inorganic Chemistry
Year of publication	2006
a	9.6164 ± 0.0013 Å
b	10.8605 ± 0.0014 Å
c	19.202 ± 0.003 Å
α	91.996 ± 0.003°
β	100.047 ± 0.004°
γ	96.313 ± 0.004°
Cell volume	1959.7 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	Yes
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.	4300696.cif
277857	2022-09-15	cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines.	4300696.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4300696.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4300696.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.	4300696.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/'	4300696.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4300696.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.	4300696.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)	4300696.cif