Crystallography Open Database

Information card for entry 1561292

Preview

Coordinates	1561292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H36 Cu3 N6 O12
Calculated formula	C50 H36 Cu3 N6 O12
Title of publication	Zn/Cd/Cu- frameworks constructed by 3,3′-diphenyldicarboxylate and 1,4-bis(1,2,4-triazol-1-yl)butane: Syntheses, structure, luminescence and luminescence sensing for metal ion in aqueous medium
Authors of publication	Zhang, Mei-Na; Fan, Ting-Ting; Wang, Qiu-Shuang; Han, Hong-Liang; Li, Xia
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	258
Pages of publication	744 - 752
a	10.478 ± 0.002 Å
b	10.93 ± 0.002 Å
c	12.312 ± 0.003 Å
α	106.87 ± 0.03°
β	108.55 ± 0.03°
γ	104.63 ± 0.03°
Cell volume	1183.2 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
263360 (current)	2021-03-26	cif/ Adding structures of 1561290, 1561291, 1561292 via cif-deposit CGI script.	1561292.cif