Crystallography Open Database

Information card for entry 2311503

Preview

Coordinates	2311503.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Poly[bis{μ~2~-1-[2-(cyclohexylsulfanyl)ethyl]pyridin-2(1<i>H</i>)-one}tetra-μ~3~-iodidotetracopper(I)]
Formula	C26 H38 Cu4 I4 N2 O2 S2
Calculated formula	C26 H38 Cu4 I4 N2 O2 S2
Title of publication	A two-dimensional copper(I) coordination polymer based on 1-[2-(cyclo-hexyl-sulfan-yl)eth-yl]pyridin-2(1<i>H</i>)-one.
Authors of publication	Park, Hyunjin; Kim, Jineun; Im, Hansu; Kim, Tae Ho
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 11
Pages of publication	1782 - 1785
a	8.5922 ± 0.0003 Å
b	9.1285 ± 0.0003 Å
c	21.5629 ± 0.0006 Å
α	90°
β	96.754 ± 0.001°
γ	90°
Cell volume	1679.53 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0722
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
245938 (current)	2019-12-25	cif/ Adding structures of 2311503 via cif-deposit CGI script.	2311503.cif