Crystallography Open Database

Information card for entry 7000513

Preview

Coordinates	7000513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H72 Cu6 I2 N14 O2 S8 W2
Calculated formula	C60 H72 Cu6 I2 N14 O2 S8 W2
Title of publication	Formation of dimeric and polymeric W/Cu/S clusters via degradation or expansion of the cluster core in [Et4N]4[WS4Cu4I6]
Authors of publication	Huang, Yu-Jian; Song, Ying-Lin; Chen, Yang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	8
Pages of publication	1411
a	12.6498 ± 0.0015 Å
b	12.943 ± 0.003 Å
c	15.041 ± 0.003 Å
α	111.395 ± 0.01°
β	95.08 ± 0.02°
γ	105.55 ± 0.03°
Cell volume	2160.8 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0942
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1815
Weighted residual factors for all reflections included in the refinement	0.1973
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179683 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/05.	7000513.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000513.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000513.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000513.cif