Crystallography Open Database

Information card for entry 4340853

Preview

Coordinates	4340853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H26 Dy F9 N2 O6
Calculated formula	C43 H26 Dy F9 N2 O6
SMILES	C(C1C2=C(c3ccccc3C2)O[Dy]234([n]5ccccc5c5cccc[n]25)([O]=1)([O]=C(C(F)(F)F)C1=C(c2ccccc2C1)O3)[O]=C(C(F)(F)F)C1=C(c2ccccc2C1)O4)(F)(F)F
Title of publication	Local Coordination Geometry Perturbed β-Diketone Dysprosium Single-Ion Magnets.
Authors of publication	Zhu, Jing; Wang, Changzheng; Luan, Fang; Liu, Tianqi; Yan, Pengfei; Li, Guangming
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	17
Pages of publication	8895 - 8901
a	11.0539 ± 0.0004 Å
b	9.1328 ± 0.0003 Å
c	19.8252 ± 0.0008 Å
α	90°
β	95.412 ± 0.003°
γ	90°
Cell volume	1992.49 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179511 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/08.	4340853.cif
122964	2014-09-06	cif/ Updating files of 4340852, 4340853, 4340854 Original log message: Adding full bibliography for 4340852--4340854.cif.	4340853.cif
122250	2014-08-20	cif/ Adding structures of 4340852, 4340853, 4340854 via cif-deposit CGI script.	4340853.cif