Crystallography Open Database

Information card for entry 7206660

7206659 << 7206660 >> 7206661

Preview

Coordinates	7206660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H60 Cu2 N4 O30 S4
Calculated formula	C24 H60 Cu2 N4 O30 S4
Title of publication	Networking of macrocycles: 1D and 2D coordination polymers of dithia-18-crown-6 with copper(ii) and copper(i)
Authors of publication	Park, In-Hyeok; Lee, Shim Sung
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	21
Pages of publication	6520
a	5.068 ± 0.0003 Å
b	11.0147 ± 0.0007 Å
c	20.8655 ± 0.0013 Å
α	81.306 ± 0.003°
β	89.114 ± 0.003°
γ	80.325 ± 0.003°
Cell volume	1134.95 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0563
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7206660.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206660.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206660.cif
29974	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7206660, 7206661, 7206662 via cif-deposit CGI script.	7206660.cif