Crystallography Open Database

Information card for entry 4117286

Preview

Coordinates	4117286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H220 Co8 Dy8 N4 O72 P8
Calculated formula	C112 H220 Co8 Dy8 N4 O72 P8
Title of publication	Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants
Authors of publication	Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	1057 - 1065
a	35.6135 ± 0.0018 Å
b	20.6435 ± 0.001 Å
c	24.9843 ± 0.0012 Å
α	90°
β	101.546 ± 0.001°
γ	90°
Cell volume	17996.4 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1642
Residual factor for significantly intense reflections	0.0962
Weighted residual factors for significantly intense reflections	0.191
Weighted residual factors for all reflections included in the refinement	0.2301
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
178943 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/72.	4117286.cif
74355	2013-02-26	cif/ Adding structures of 4117286 via cif-deposit CGI script.	4117286.cif