Crystallography Open Database

Information card for entry 7218689

Preview

Coordinates	7218689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Cu2 N6
Calculated formula	C16 H14 Cu2 N6
Title of publication	Charge-transfer metal-organic frameworks based on CuCN architecture units: crystal structures, luminescence properties and theoretical investigations
Authors of publication	Huang, RongYi; Xue, Chen; Zhu, Chang-Hai; Wang, Zhu-Qing; Xu, Heng; Ren, Xiao-Ming
Journal of publication	RSC Adv.
Year of publication	2014
a	8.7916 ± 0.0004 Å
b	15.3787 ± 0.0007 Å
c	14.4 ± 0.0005 Å
α	90°
β	122.692 ± 0.002°
γ	90°
Cell volume	1638.51 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0308
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0696
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
180517 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/86.	7218689.cif
126583	2014-11-07	cif/ Adding structures of 7218689, 7218690, 7218691, 7218692 via cif-deposit CGI script.	7218689.cif