Crystallography Open Database

Information card for entry 4332866

Preview

Coordinates	4332866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 Cu4 I2 N8 S7 W
Calculated formula	C34 H30 Cu4 I2 N8 S7 W
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	14.4181 ± 0.0013 Å
b	26.731 ± 0.003 Å
c	12.6362 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	4870.1 ± 0.8 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	37
Hermann-Mauguin space group symbol	C c c 2
Hall space group symbol	C 2 -2c
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1311
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.7107 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.	4332866.cif
98604	2014-01-30	cif/ Adding structures of 4332866 via cif-deposit CGI script.	4332866.cif