Crystallography Open Database

Information card for entry 7100872

Preview

Coordinates	7100872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H72 F36 I8 K2 N4 O12
Calculated formula	C54 H72 F36 I8 K2 N4 O12
SMILES	C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]18CC[O]9CC[O](CC4)[K]2356789.C(C(C(F)(F)C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)(F)I.[I-].C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]18CC[O]9CC[O](CC4)[K]2356789.C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)(F)I.C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)(F)I.[I-]
Title of publication	Metric engineering of supramolecular borromean rings
Authors of publication	Giuseppe Resnati; Rosalba Liantonio; Pierangelo Metrangolo; Franck Meyer; Tullio Pilati
Journal of publication	Chemical Communications
Year of publication	2006
a	11.861 ± 0.002 Å
b	11.861 ± 0.002 Å
c	17.319 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	2110.1 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277873 (current)	2022-09-15	cif/ Added space group information derived from the space group operation list using the 'cif_filter' program.	7100872.cif
277872	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.	7100872.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	7100872.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7100872.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.	7100872.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/'	7100872.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	7100872.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.	7100872.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)	7100872.cif