Crystallography Open Database

Information card for entry 4332254

Preview

Coordinates	4332254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cu6 I4 N4 Se4 W
Calculated formula	C20 H20 Cu6 I4 N4 Se4 W
Title of publication	Construction of New Heteroselenometallic Clusters: Formation of Crownlike [Et4N]4[(μ5-WSe4)(CuI)5(μ-I)2] and Octahedral Polymeric [(μ6-WSe4)Cu6I4(py)4]nfrom Planar [Et4N]4[(μ4-WSe4)Cu4I6] with Additional Faces
Authors of publication	Zhang, Qian-Feng; Yu, Zhan; Ding, Jihai; Song, Yinglin; Rothenberger, Alexander; Fenske, Dieter; Leung, Wa-Hung
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	13
Pages of publication	5187 - 5195
a	14.811 ± 0.002 Å
b	14.811 ± 0.002 Å
c	15.595 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3421 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1175
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
179425 (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 4/33/22.	4332254.cif
98192	2014-01-29	cif/ Adding structures of 4332254 via cif-deposit CGI script.	4332254.cif