Crystallography Open Database

Information card for entry 7233566

Preview

Coordinates	7233566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H160 Cd3 Cl12 La2 N48 O52
Calculated formula	C88 H104 Cd3 Cl12 La2 N48 O40
Title of publication	The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands
Authors of publication	Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	37
Pages of publication	5641
a	10.9409 ± 0.0012 Å
b	15.4091 ± 0.0017 Å
c	23.902 ± 0.003 Å
α	91.577 ± 0.001°
β	100.609 ± 0.001°
γ	110.048 ± 0.001°
Cell volume	3702.8 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.073
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1911
Weighted residual factors for all reflections included in the refinement	0.2036
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
223496 (current)	2019-11-07	cif/ Updating files of 7233566, 7233567, 7233568, 7233569, 7233570, 7233571, 7233572, 7233573, 7233574, 7233575 Original log message: Adding full bibliography for 7233566--7233575.cif.	7233566.cif
217852	2019-08-30	cif/ Adding structures of 7233566, 7233567, 7233568, 7233569, 7233570, 7233571, 7233572, 7233573, 7233574, 7233575 via cif-deposit CGI script.	7233566.cif