Crystallography Open Database

Information card for entry 4004044

Preview

Coordinates	4004044.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	NaCu3(C2H3N4)4
Chemical name	'NaCu3(C2H3N4)4'
Formula	C8 H12 Cu3 N16 Na
Calculated formula	C8 H12 Cu3 N16 Na
Title of publication	Ultra-Stable Metal–Organic Framework with Concurrent High Proton Conductivity and Fluorescence Sensing for Nitrobenzene
Authors of publication	Lu, Ying-Bing; Liao, Ya-Qing; Dong, Lu; Zhu, Shui-Dong; Wen, He-Rui; Huang, Jing; Dai, Xue-Xun; Lian, Ping; Jiang, Xiao-Ming; Li, Rong; Xie, Yong-Rong
Journal of publication	Chemistry of Materials
Year of publication	2021
Journal volume	33
Journal issue	19
Pages of publication	7858 - 7868
a	16.378 ± 0.003 Å
b	16.378 ± 0.003 Å
c	27.376 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	7343 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.165
Weighted residual factors for all reflections included in the refinement	0.1653
Goodness-of-fit parameter for all reflections included in the refinement	1.429
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
270263 (current)	2021-11-04	cif/ Adding structures of 4004044 via cif-deposit CGI script.	4004044.cif