Crystallography Open Database

Information card for entry 7226418

Preview

Coordinates	7226418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 Ce2 N6 O18 S6
Calculated formula	C60 H60 Ce2 N6 O18 S6
Title of publication	Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission
Authors of publication	Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	40
Pages of publication	7728
a	16.1339 ± 0.0006 Å
b	16.3437 ± 0.0006 Å
c	17.2177 ± 0.0006 Å
α	111.101 ± 0.001°
β	110.695 ± 0.001°
γ	96.1766 ± 0.0012°
Cell volume	3816.2 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1619
Weighted residual factors for all reflections included in the refinement	0.1716
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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
188098 (current)	2016-11-08	cif/ Updating files of 7226417, 7226418, 7226419, 7226420, 7226421, 7226422, 7226423, 7226424 Original log message: Adding full bibliography for 7226417--7226424.cif.	7226418.cif
186103	2016-09-01	cif/ Adding structures of 7226417, 7226418, 7226419, 7226420, 7226421, 7226422, 7226423, 7226424 via cif-deposit CGI script.	7226418.cif