Crystallography Open Database

Information card for entry 4101007

Preview

Coordinates	4101007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H85 Cl Fe K N2 O6
Calculated formula	C54 H85 Cl Fe K N2 O6
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
a	12.816 ± 0.0011 Å
b	13.1961 ± 0.0011 Å
c	17.9793 ± 0.0015 Å
α	78.258 ± 0.002°
β	82.836 ± 0.002°
γ	71.608 ± 0.002°
Cell volume	2819 ± 0.4 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
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4101007.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4101007.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101007.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.	4101007.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/'	4101007.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4101007.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.	4101007.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)	4101007.cif