Crystallography Open Database

Information card for entry 1568610

Preview

Coordinates	1568610.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H70 N8 O59 Y8
Calculated formula	C112 H70 N8 O59 Y8
Title of publication	A 12-Connected [Y<sub>4</sub>((<i>μ</i><sub>3</sub>-OH)<sub>4</sub>]<sup>8+</sup> Cluster-Based Luminescent Metal-Organic Framework for Selective Turn-on Detection of F<sup>-</sup> in H<sub>2</sub>O.
Authors of publication	Li, Juan; Wang, Airong; Qiu, Shiming; Wang, Xiaoli; Li, Jiaming
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2023
Journal volume	28
Journal issue	4
Pages of publication	1893
a	33.7993 ± 0.001 Å
b	33.7993 ± 0.001 Å
c	7.9398 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	9070.4 ± 0.7 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	5
Space group number	113
Hermann-Mauguin space group symbol	P -4 21 m
Hall space group symbol	P -4 2ab
Residual factor for all reflections	0.1419
Residual factor for significantly intense reflections	0.1209
Weighted residual factors for significantly intense reflections	0.3069
Weighted residual factors for all reflections included in the refinement	0.3291
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281647 (current)	2023-03-06	cif/ Adding structures of 1568610 via cif-deposit CGI script.	1568610.cif