Crystallography Open Database

Information card for entry 7050842

Preview

Coordinates	7050842.cif

Structure parameters

Formula	C54 H82 N2 O14 U
Calculated formula	C54 H73 N2 O14 U
Title of publication	Supramolecular assemblies from uranyl ion complexes of hexahomotrioxacalix[3]arenes and protonated [2.2.2]cryptand
Authors of publication	Thuery, Pierre; Masci, B.; Nierlich, M.
Journal of publication	New Journal of Chemistry
Year of publication	2002
a	14.3837 ± 0.0006 Å
b	20.2772 ± 0.0006 Å
c	21.5187 ± 0.0006 Å
α	66.41 ± 0.002°
β	79.842 ± 0.002°
γ	79.466 ± 0.002°
Cell volume	5617.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	7050842.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7050842.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.	7050842.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/'	7050842.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	7050842.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.	7050842.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)	7050842.cif