Crystallography Open Database

Information card for entry 4348223

Preview

Coordinates	4348223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H92 N O8 Y
Calculated formula	C84 H92 N O8 Y
SMILES	[Y]1234([O]=C(c5ccccc5)C=C(O3)c3ccccc3)(OC(=CC(=[O]4)c3ccccc3)c3ccccc3)([O]=C(C=C(O1)c1ccccc1)c1ccccc1)[O]=C(c1ccccc1)C=C(O2)c1ccccc1.[N+](CCCCCC)(CCCCCC)(CCCCCC)CCCCCC
Title of publication	The slow magnetic relaxation regulated by ligand conformation of a lanthanide single-ion magnet [Hex4N][Dy(DBM)4]
Authors of publication	Sun, Wen-Bin; Yan, Bing; Zhang, Yi-Quan; Wang, Bing-Wu; Wang, Zhe-Ming; Jia, Jun-Hua; Gao, Song
Journal of publication	Inorg. Chem. Front.
Year of publication	2014
Journal volume	1
Journal issue	6
Pages of publication	503
a	16.5033 ± 0.0004 Å
b	24.3631 ± 0.0008 Å
c	18.6445 ± 0.0004 Å
α	90°
β	105.028 ± 0.002°
γ	90°
Cell volume	7240 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1409
Residual factor for significantly intense reflections	0.1042
Weighted residual factors for significantly intense reflections	0.2486
Weighted residual factors for all reflections included in the refinement	0.2743
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232834 (current)	2019-11-23	cif/ Adding structures of 4348222, 4348223 via cif-deposit CGI script.	4348223.cif