Crystallography Open Database

Information card for entry 7037435

Preview

Coordinates	7037435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 Cu Fe2 I Se2
Calculated formula	C21 H20 Cu Fe2 I Se2
Title of publication	Copper(i) halide clusters based upon ferrocenylchalcogenoether ligands: donors, halides and semi-rigidity effects on the geometry and catalytic activity.
Authors of publication	Ji, Wei; Qu, Jian; Jing, Su; Zhu, Dunru; Huang, Wei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	3
Pages of publication	1016 - 1024
a	7.219 ± 0.002 Å
b	11.326 ± 0.003 Å
c	14.135 ± 0.004 Å
α	106.724 ± 0.003°
β	101.129 ± 0.003°
γ	93.864 ± 0.003°
Cell volume	1076.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0509
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
176058 (current)	2016-02-05	cif/ Updating files of 7037430, 7037431, 7037432, 7037433, 7037434, 7037435, 7037436, 7037437 Original log message: Adding full bibliography for 7037430--7037437.cif.	7037435.cif
170507	2015-11-24	cif/ Adding structures of 7037430, 7037431, 7037432, 7037433, 7037434, 7037435, 7037436, 7037437 via cif-deposit CGI script.	7037435.cif