Crystallography Open Database

Information card for entry 4060709

Preview

Coordinates	4060709.cif

Structure parameters

Formula	C53 H75 N7 O9 W2
Calculated formula	C53 H75 N7 O9 W2
SMILES	[W]12([O]([W]([O]1c1ccc(cc1)C#N)([O]2c1ccc(cc1)C#N)(C#[O])(C#[O])C#[O])c1ccc(cc1)C#N)(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC
Journal of publication	Organometallics
Year of publication	2003
a	15.07 ± 0.006 Å
b	19.22 ± 0.008 Å
c	19.295 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	5588.6 ± 4.1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0373
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.	4060709.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4060709.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.	4060709.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/'	4060709.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4060709.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.	4060709.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)	4060709.cif