Crystallography Open Database

Information card for entry 4332869

Preview

Coordinates	4332869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 Cu3 Mo N8 O2 S3
Calculated formula	C22 H22 Cu3 Mo N8 O2 S3
Title of publication	Mo(W)/Cu/S Cluster-Based Supramolecular Arrays Assembled from Preformed Clusters [Et4N]4[WS4Cu4I6] and [(n-Bu)4N]2[MoOS3Cu3X3] (X = I, SCN) with Flexible Ditopic Ligands
Authors of publication	Lang, Jian-Ping; Xu, Qing-Feng; Zhang, Wen-Hua; Li, Hong-Xi; Ren, Zhi-Gang; Chen, Jin-Xiang; Zhang, Yong
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	26
Pages of publication	10487 - 10496
a	9.2794 ± 0.0019 Å
b	11.063 ± 0.002 Å
c	15.852 ± 0.003 Å
α	95.68 ± 0.03°
β	94.28 ± 0.03°
γ	114.64 ± 0.03°
Cell volume	1459.8 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0718
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.159
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
179431 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/28.	4332869.cif
98607	2014-01-30	cif/ Adding structures of 4332869 via cif-deposit CGI script.	4332869.cif