Crystallography Open Database

Information card for entry 1517446

Preview

Coordinates	1517446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H160 Dy2 K N8 O13
Calculated formula	C110 H160 Dy2 K N8 O13
Title of publication	Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine
Authors of publication	Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R.
Journal of publication	Chem. Sci.
Year of publication	2014
Journal volume	5
Journal issue	12
Pages of publication	4701
a	22.168 ± 0.003 Å
b	25.23 ± 0.003 Å
c	20.706 ± 0.002 Å
α	90°
β	111.311 ± 0.002°
γ	90°
Cell volume	10789 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517446.cif
126327	2014-11-06	cif/ Updating files of 1517443, 1517444, 1517445, 1517446 Original log message: Adding full bibliography for 1517443--1517446.cif.	1517446.cif
122516	2014-08-27	cif/ Adding structures of 1517443, 1517444, 1517445, 1517446 via cif-deposit CGI script.	1517446.cif