Crystallography Open Database

Information card for entry 4340854

Preview

Coordinates	4340854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45.02 H26.02 Cl0.06 Dy F9 N2 O6
Calculated formula	C45.02 H26.02 Cl0.06 Dy F9 N2 O6
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	11.99 ± 0.002 Å
b	21.213 ± 0.004 Å
c	19.554 ± 0.006 Å
α	90°
β	116.91 ± 0.02°
γ	90°
Cell volume	4434.9 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0455
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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.	4340854.cif
122964	2014-09-06	cif/ Updating files of 4340852, 4340853, 4340854 Original log message: Adding full bibliography for 4340852--4340854.cif.	4340854.cif
122250	2014-08-20	cif/ Adding structures of 4340852, 4340853, 4340854 via cif-deposit CGI script.	4340854.cif