Crystallography Open Database

Information card for entry 7218692

Preview

Coordinates	7218692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 Cu3 N7
Calculated formula	C23 H18 Cu3 N7
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	7.3383 ± 0.0009 Å
b	9.711 ± 0.0011 Å
c	9.8336 ± 0.0012 Å
α	61.16 ± 0.007°
β	73.893 ± 0.009°
γ	74.296 ± 0.008°
Cell volume	581.9 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1921
Weighted residual factors for all reflections included in the refinement	0.2293
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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.	7218692.cif
126583	2014-11-07	cif/ Adding structures of 7218689, 7218690, 7218691, 7218692 via cif-deposit CGI script.	7218692.cif