Crystallography Open Database

Information card for entry 7207171

7207170 << 7207171 >> 7207172

Preview

Coordinates	7207171.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Zn(DMSO)4(H2O)2][Zn2TCNQ3]
Formula	C44 H40 N12 O6 S4 Zn3
Calculated formula	C36 H12 N12 Zn3
Title of publication	A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2
Authors of publication	Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	2
Pages of publication	351
a	12.7447 ± 0.0004 Å
b	12.7447 ± 0.0004 Å
c	10.7107 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	1506.63 ± 0.08 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	162
Hermann-Mauguin space group symbol	P -3 1 m
Hall space group symbol	-P 3 2
Residual factor for all reflections	0.0883
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.2757
Weighted residual factors for all reflections included in the refinement	0.2859
Goodness-of-fit parameter for all reflections included in the refinement	1.161
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180402 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/71.	7207171.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207171.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7207171.cif
32495	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 7207169, 7207170, 7207171, 7207172 via cif-deposit CGI script.	7207171.cif