Crystallography Open Database

Information card for entry 7227915

Preview

Coordinates	7227915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H46 Ce2 N6 O22
Calculated formula	C22 H18 Ce2 N2 O18
Title of publication	Two lanthanide-based metal‒organic frameworks for highly efficient adsorption and removal of fluoride ions from water
Authors of publication	Ma, Aiqing; Ke, Fei; Jiang, Jing; Yuan, Qiaoyu; Luo, Zhidong; Liu, Jianqiang; Kumar, Abhinav
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	16
Pages of publication	2172
a	25.5147 ± 0.0015 Å
b	13.4137 ± 0.0008 Å
c	14.6329 ± 0.0009 Å
α	90°
β	101.966 ± 0.0009°
γ	90°
Cell volume	4899.2 ± 0.5 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	0.0806
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.1698
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
196384 (current)	2017-05-06	cif/ Updating files of 7227915 Original log message: Adding full bibliography for 7227915.cif.	7227915.cif
194396	2017-03-22	cif/ Adding structures of 7227915 via cif-deposit CGI script.	7227915.cif