Crystallography Open Database

Information card for entry 2019309

2019308 << 2019309 >> 2019310

Preview

Coordinates	2019309.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[(μ~4~-1-phenyl-1<i>H</i>-1,2,3,4-tetrazole-5-thiolato)copper(I)]
Formula	C7 H5 Cu N4 S
Calculated formula	C7 H5 Cu N4 S
Title of publication	A two-dimensional Cu^I^ framework incorporating the 1-phenyl-1<i>H</i>-1,2,3,4-tetrazole-5-thiol ligand
Authors of publication	Zhou, Fang-Xia; Yue, Cheng-Yang; Zhang, Hui-Ping; Lei, Xiao-Wu
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	1478 - 1481
a	17.344 ± 0.015 Å
b	6.509 ± 0.005 Å
c	7.522 ± 0.006 Å
α	90°
β	90.79 ± 0.017°
γ	90°
Cell volume	849.1 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	2019309.cif
92268	2014-01-12	cif/ Adding structures of 2019309 via cif-deposit CGI script.	2019309.cif