Crystallography Open Database

Information card for entry 7007133

Preview

Coordinates	7007133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 Cu2 N8 S
Calculated formula	C20 H12 Cu2 N8 S
Title of publication	Syntheses of supramolecular CuCN complexes by decomposing CuSCN: a general route to CuCN coordination polymers?
Authors of publication	Zhou, Xiao-Ping; Li, Dan; Wu, Tao; Zhang, Xuanjun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	20
Pages of publication	2435 - 2443
a	6.9991 ± 0.0016 Å
b	18.333 ± 0.004 Å
c	8.3381 ± 0.0018 Å
α	90°
β	112.652 ± 0.004°
γ	90°
Cell volume	987.4 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0749
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.1835
Weighted residual factors for all reflections included in the refinement	0.1879
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7007133.html