Crystallography Open Database

Information card for entry 4514500

Preview

Coordinates	4514500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 Cd2 N8 O10
Calculated formula	C34 H32 Cd2 N8 O10
SMILES	O1C2=[O][Cd]341([O]=C(O4)C)([n]1ccncc1c1ccn(Cc4ccc(cc4)C4=[O][Cd]56([n]7ccncc7c7ccn(Cc8ccc2cc8)[n]67)(O4)([O]=C(O5)C)[OH2])[n]31)[OH2]
Title of publication	Europium-Functionalized Flexible Luminescent Zeolite-like Supramolecular Assembly for Ratiometric Anthrax Biomarker Determination.
Authors of publication	Xing, Kai; Fan, Ruiqing; Gai, Shuang; Zheng, Xubin; Wang, Ping; Yang, Yulin
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	39
Pages of publication	36081 - 36089
a	7.9887 ± 0.0015 Å
b	8.5278 ± 0.0016 Å
c	15.021 ± 0.003 Å
α	97.619 ± 0.002°
β	100.389 ± 0.002°
γ	108.692 ± 0.002°
Cell volume	933.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0438
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
219687 (current)	2019-10-28	cif/ Adding structures of 4514500, 4514501, 4514502 via cif-deposit CGI script.	4514500.cif