Crystallography Open Database

Information card for entry 7051397

Preview

Coordinates	7051397.cif

Structure parameters

Formula	C16 H20 N2 O4 W
Calculated formula	C16 H20 N2 O4 W
SMILES	[W]12(=O)(=O)(OC(c3[n]1cccc3)(C)C)OC(c1[n]2cccc1)(C)C
Title of publication	First tungsten complexes with 2'-pyridylalcoholate ligands: synthesis, structure and application as novel epoxidation catalysts
Authors of publication	Herrmann W. A.; Fridgen J.; Lobmaier G. M.; Spiegler M.
Journal of publication	New Journal of Chemistry
Year of publication	1999
a	14.665 ± 0.0005 Å
b	14.5373 ± 0.0007 Å
c	17.101 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3645.8 ± 0.3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
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.	7051397.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7051397.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.	7051397.cif
163	2008-02-24	29 files corrected.	7051397.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/'	7051397.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	7051397.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.	7051397.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)	7051397.cif