Crystallography Open Database

Information card for entry 4349563

Preview

Coordinates	4349563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H60 Dy2 N6 O20 Zn2
Calculated formula	C62 H60 Dy2 N6 O20 Zn2
SMILES	c12ccccc1[N]1[Dy]3456([O]72[Zn]289([O]3c3c(C=[N]2c2c([O]8[Dy]8%10%11%12%13([N](c%14c(cccc%14)[O]98[Zn]897([N](c7c([O]68)cccc7)=Cc6cccc([O]%11CC)c6[O]9%13)[OH]C)=Cc6cccc(OCC)c6O%10)ON(=[O]%12)=O)cccc2)cccc3[O]4CC)[OH]C)(Oc2c(C=1)cccc2OCC)ON(=[O]5)=O
Title of publication	Tuning quantum tunnelling of magnetization through 3d‒4f magnetic interactions: an alternative approach for manipulating single-molecule magnetism
Authors of publication	Li, Jing; Wei, Rong-Min; Pu, Tian-Cheng; Cao, Fan; Yang, Li; Han, Yuan; Zhang, Yi-Quan; Zuo, Jing-Lin; Song, You
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	1
Pages of publication	114
a	11.4697 ± 0.0013 Å
b	11.6701 ± 0.0014 Å
c	13.4425 ± 0.0016 Å
α	86.002 ± 0.002°
β	66.152 ± 0.002°
γ	68.286 ± 0.002°
Cell volume	1522.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0542
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
234885 (current)	2019-11-23	cif/ Adding structures of 4349561, 4349562, 4349563 via cif-deposit CGI script.	4349563.cif