Crystallography Open Database

Information card for entry 7037436

Preview

Coordinates	7037436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 Cu2 Fe2 I2 Se2
Calculated formula	C21 H20 Cu2 Fe2 I2 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	16.987 ± 0.006 Å
b	16.987 ± 0.006 Å
c	16.186 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	4671 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	106
Hermann-Mauguin space group symbol	P 42 b c
Hall space group symbol	P 4c -2ab
Residual factor for all reflections	0.1079
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	7037436.cif
170507	2015-11-24	cif/ Adding structures of 7037430, 7037431, 7037432, 7037433, 7037434, 7037435, 7037436, 7037437 via cif-deposit CGI script.	7037436.cif