Crystallography Open Database

Information card for entry 4349561

Preview

Coordinates	4349561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H94 Co2 Dy2 N12 O24
Calculated formula	C78 H94 Co2 Dy2 N12 O24
SMILES	c12ccccc1[N]1=Cc3c(O[Dy]45671([O]12[Co]289([N](c%10c([O]2[Dy]2%11%12%13%14([N](c%15c(cccc%15)[O]92[Co]291([N](c1c([O]72)cccc1)=Cc1cccc([O]%13CC)c1[O]%129)[O]=CN(C)C)=Cc1cccc(OCC)c1O%11)ON(=[O]%14)=O)cccc%10)=Cc1cccc([O]5CC)c1[O]48)[O]=CN(C)C)ON(=[O]6)=O)c(OCC)ccc3.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C
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	11.8868 ± 0.0011 Å
b	11.8963 ± 0.0011 Å
c	14.6976 ± 0.0013 Å
α	90.589 ± 0.002°
β	94.01 ± 0.002°
γ	98.338 ± 0.003°
Cell volume	2050.9 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0981
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1569
Goodness-of-fit parameter for all reflections included in the refinement	1.179
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.	4349561.cif