Crystallography Open Database

Information card for entry 7110636

Preview

Coordinates	7110636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 Cu N3 S
Calculated formula	C13 H12 Cu N3 S
Title of publication	A coordination polymer based on twofold interpenetrating three-dimensional four-connected nets of 42638 topology, [CuSCN(bpa)] [bpa = 1,2-bis(4-pyridyl)ethane]†
Authors of publication	Wang, Quan-Ming; Guo, Guo-Cong; Mak, Thomas C. W.
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	18
Pages of publication	1849
a	10.7824 ± 0.0015 Å
b	17.348 ± 0.002 Å
c	14.0835 ± 0.0018 Å
α	90°
β	97.405 ± 0.003°
γ	90°
Cell volume	2612.4 ± 0.6 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	0.1718
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	0.67
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
180220 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/06.	7110636.cif
95574	2014-01-28	cif/ Adding structures of 7110636 via cif-deposit CGI script.	7110636.cif