Crystallography Open Database

Information card for entry 7115845

Preview

Coordinates	7115845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 Dy O8
Calculated formula	C23 H21 Dy O8
Title of publication	Experimental and theoretical evidence that electrostatics governs easy-axis orientation in DyIII-based molecular chains
Authors of publication	Julie Jung; Francois Le Natur; Olivier Cador; Fabrice Pointillart; Guillaume Calvez; Carole Daiguebonne; Olivier Guillou; Thierry Guizouarn; Boris Le Guennic; Kevin Bernot
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	13346
a	9.6458 ± 0.0002 Å
b	10.0989 ± 0.0003 Å
c	12.4871 ± 0.0004 Å
α	95.43 ± 0.002°
β	104.581 ± 0.003°
γ	97.247 ± 0.002°
Cell volume	1157.65 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7115845.cif
127735	2014-11-21	cif/ Adding structures of 7115845 via cif-deposit CGI script.	7115845.cif