Crystallography Open Database

Information card for entry 7218691

Preview

Coordinates	7218691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H9 Cu N3
Calculated formula	C9 H9 Cu N3
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	13.868 ± 0.003 Å
b	22.973 ± 0.004 Å
c	24.215 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	7715 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	7218691.cif
126583	2014-11-07	cif/ Adding structures of 7218689, 7218690, 7218691, 7218692 via cif-deposit CGI script.	7218691.cif