Crystallography Open Database

Information card for entry 7226422

Preview

Coordinates	7226422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H58 N6 Nd2 O18 S5
Calculated formula	C59 H58 N6 Nd2 O18 S5
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	16.0917 ± 0.0006 Å
b	16.3567 ± 0.0006 Å
c	17.1769 ± 0.0006 Å
α	110.724 ± 0.001°
β	110.848 ± 0.001°
γ	96.387 ± 0.001°
Cell volume	3803.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0616
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1658
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
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.	7226422.cif
186103	2016-09-01	cif/ Adding structures of 7226417, 7226418, 7226419, 7226420, 7226421, 7226422, 7226423, 7226424 via cif-deposit CGI script.	7226422.cif