Crystallography Open Database

Information card for entry 7115384

Preview

Coordinates	7115384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 Dy N5 O13
Calculated formula	C28 H26 Dy N5 O13
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	17.654 ± 0.003 Å
b	54.092 ± 0.009 Å
c	9.5502 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	9120 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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.	7115384.cif
124267	2014-09-26	cif/ Adding structures of 7115383, 7115384 via cif-deposit CGI script.	7115384.cif