Crystallography Open Database

Information card for entry 4061886

Preview

Coordinates	4061886.cif

Structure parameters

Formula	C34 H35 Cl Fe N O2 P Pd
Calculated formula	C34 H35 Cl Fe N O2 P Pd
SMILES	[Pd]1(c2c(cccc2)C[N]1(C)C)(Cl)[P]([c]12[cH]3[Fe]4567891([c]2([cH]5[cH]34)CC(=O)OC)[cH]1[cH]6[cH]7[cH]8[cH]91)(c1ccccc1)c1ccccc1
Journal of publication	Organometallics
Year of publication	2003
a	10.2801 ± 0.0001 Å
b	18.2507 ± 0.0001 Å
c	32.1378 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6029.66 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
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.	4061886.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4061886.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.	4061886.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/'	4061886.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4061886.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.	4061886.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)	4061886.cif