Crystallography Open Database

Information card for entry 1561214

Preview

Coordinates	1561214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H22 N10 O14 Zn3
Calculated formula	C50 H22 N10 O14 Zn3
Title of publication	Two 3D metal−organic frameworks as multi-functional materials to detect Fe3+ ions and nitroaromatic explosives and to encapsulate Ln3+ ions for white-light emission
Authors of publication	Ma, Bing; Xu, Jianing; Qi, Hui; Sun, Jing; Chai, Juan; Jia, Jia; Jing, Shubo; Fan, Yong; Wang, Li
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	258
Pages of publication	42 - 48
a	28.277 ± 0.006 Å
b	13.611 ± 0.003 Å
c	15.438 ± 0.003 Å
α	90°
β	112.7 ± 0.03°
γ	90°
Cell volume	5481 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1448
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
263253 (current)	2021-03-23	cif/ Adding structures of 1561214, 1561215 via cif-deposit CGI script.	1561214.cif