Crystallography Open Database

Information card for entry 7224102

Preview

Coordinates	7224102.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tris-(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadionato-O,O')-(1,10-phenanthroline-N,N')-Dysprosium(III)
Formula	C42 H38 Dy F21 N2 O6
Calculated formula	C42 H38 Dy F21 N2 O6
SMILES	[Dy]1234([n]5c6c(ccc7c6[n]2ccc7)ccc5)([O]=C(C=C(O3)C(C(F)(F)C(F)(F)F)(F)F)C(C)(C)C)([O]=C(C=C(O1)C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C)[O]=C(C=C(O4)C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)F
Title of publication	Evaporable lanthanide single-ion magnet
Authors of publication	Gao, Chen; Yang, Qian; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	22
Pages of publication	4165
a	14.0899 ± 0.0003 Å
b	19.8329 ± 0.0003 Å
c	17.4263 ± 0.0003 Å
α	90°
β	102.091 ± 0.002°
γ	90°
Cell volume	4761.64 ± 0.15 Å³
Cell temperature	119.96 ± 0.11 K
Ambient diffraction temperature	119.96 ± 0.11 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1776
Weighted residual factors for all reflections included in the refinement	0.2076
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
185169 (current)	2016-08-07	cif/ Updating files of 7224101, 7224102 Original log message: Adding full bibliography for 7224101--7224102.cif.	7224102.cif
175444	2016-02-03	cif/ Adding structures of 7224101, 7224102 via cif-deposit CGI script.	7224102.cif