Crystallography Open Database

Information card for entry 4345764

Preview

Coordinates	4345764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H38 Br3 Er N6 O18.5 Zn2
Calculated formula	C34 H38 Br3 Er N6 O18.5 Zn2
Title of publication	Designing Ligands to Isolate ZnLn and Zn2Ln Complexes: Field-Induced Single-Ion Magnet Behavior of the ZnDy, Zn2Dy, and Zn2Er Analogues.
Authors of publication	Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M; Sanmartín-Matalobos, Jesús; Herrera, Juan Manuel; Colacio, Enrique
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	10
Pages of publication	5646 - 5656
a	21.1 ± 0.002 Å
b	11.9328 ± 0.0009 Å
c	20.623 ± 0.002 Å
α	90°
β	117.349 ± 0.003°
γ	90°
Cell volume	4612.1 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0682
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
197402 (current)	2017-06-05	cif/ Updating files of 4345764, 4345765 Original log message: Adding full bibliography for 4345764--4345765.cif.	4345764.cif
195869	2017-04-30	cif/ Adding structures of 4345764 via cif-deposit CGI script.	4345764.cif