Crystallography Open Database

Information card for entry 4332253

Preview

Coordinates	4332253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 Cu3 I N3 O Se3 W
Calculated formula	C15 H15 Cu3 I N3 O Se3 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	8.2156 ± 0.0016 Å
b	8.8229 ± 0.0018 Å
c	15.84 ± 0.003 Å
α	102.88 ± 0.03°
β	97.93 ± 0.03°
γ	94.94 ± 0.03°
Cell volume	1100.4 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0626
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	4332253.cif
98191	2014-01-29	cif/ Adding structures of 4332253 via cif-deposit CGI script.	4332253.cif