Crystallography Open Database

Information card for entry 4100309

Preview

Coordinates	4100309.cif

Structure parameters

Formula	C52 H40 Co3 N2 O12
Calculated formula	C52 H40 Co3 N2 O12
SMILES	c1(ccccc1)C1=[O][Co]234(OC(c5ccccc5)=[O][Co]([n]5ccccc5)([O]=C(c5ccccc5)O2)O1)OC(c1ccccc1)=[O][Co]([n]1ccccc1)([O]=C(c1ccccc1)O3)OC(=[O]4)c1ccccc1
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	10.4764 ± 0.0002 Å
b	10.5116 ± 0.0002 Å
c	10.9597 ± 0.0002 Å
α	85.32 ± 0.001°
β	86.288 ± 0.001°
γ	88.897 ± 0.001°
Cell volume	1200.26 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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.	4100309.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4100309.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.	4100309.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/'	4100309.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4100309.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.	4100309.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)	4100309.cif