Crystallography Open Database

Information card for entry 7115383

Preview

Coordinates	7115383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H35 Dy N4 O14 Zn
Calculated formula	C32 H33 Dy N4 O14 Zn
SMILES	[Zn]1234[O]=C(C)O[Dy]5678([O]1c1c(cccc1[O]6C)C=[N]4c1ccccc1)([O]2c1c(cccc1[O]7C)C=[N]3c1ccccc1)(ON(=[O]8)=O)ON(=[O]5)=O.OC.OC
Title of publication	Enhancing the effective energy barrier of a Dy(III) SMM using a bridged diamagnetic Zn(II) ion
Authors of publication	Apoorva Upadhyay; Saurabh Kumar Singh; Chinmoy Das; Ranajit Mondol; Stuart K. Langley; Keith S. Murray; Gopalan Rajaraman; Maheswaran Shanmugam
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	8838
a	11.132 ± 0.005 Å
b	12.522 ± 0.006 Å
c	13.219 ± 0.006 Å
α	105.888 ± 0.001°
β	91.753 ± 0.005°
γ	94.464 ± 0.006°
Cell volume	1764.3 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0378
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180267 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/53.	7115383.cif
124267	2014-09-26	cif/ Adding structures of 7115383, 7115384 via cif-deposit CGI script.	7115383.cif