Crystallography Open Database

Information card for entry 4332199

Preview

Coordinates	4332199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 Br2 Cu3 N2 O S3 W
Calculated formula	C24 H23 Br2 Cu3 N2 O S3 W
Title of publication	Construction of [(η5-C5Me5)WS3Cu3]-Based Supramolecular Compounds from Preformed Incomplete Cubane-Like Clusters [PPh4][(η5-C5Me5)WS3(CuX)3] (X = CN, Br)
Authors of publication	Xu, Qing-Feng; Chen, Jin-Xiang; Zhang, Wen-Hua; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	10
Pages of publication	4055 - 4064
a	19.529 ± 0.004 Å
b	14.994 ± 0.003 Å
c	22.238 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6512 ± 2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1418
Residual factor for significantly intense reflections	0.1237
Weighted residual factors for significantly intense reflections	0.2353
Weighted residual factors for all reflections included in the refinement	0.2444
Goodness-of-fit parameter for all reflections included in the refinement	1.292
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
179424 (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 4/33/21.	4332199.cif
98160	2014-01-29	cif/ Adding structures of 4332199 via cif-deposit CGI script.	4332199.cif