Crystallography Open Database

Information card for entry 4061884

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Coordinates	4061884.cif

Structure parameters

Formula	C24 H21 Fe O2 P S
Calculated formula	C24 H21 Fe O2 P S
SMILES	[Fe]12345678([c]9([c]1(P(=S)(c1ccccc1)c1ccccc1)[cH]2[cH]3[cH]49)CC(=O)O)[cH]1[cH]8[cH]7[cH]6[cH]51
Journal of publication	Organometallics
Year of publication	2003
a	8.327 ± 0.0002 Å
b	11.661 ± 0.0003 Å
c	11.7886 ± 0.0002 Å
α	99.275 ± 0.001°
β	107.325 ± 0.001°
γ	104.689 ± 0.001°
Cell volume	1021.73 ± 0.04 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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.	4061884.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4061884.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.	4061884.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/'	4061884.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4061884.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.	4061884.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)	4061884.cif