Crystallography Open Database

Information card for entry 4117287

Preview

Coordinates	4117287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H222 Co8 Er8 N4 O73 P8
Calculated formula	C112 H222 Co8 Er8 N4 O73 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	35.5392 ± 0.0015 Å
b	20.4949 ± 0.0008 Å
c	25.0246 ± 0.001 Å
α	90°
β	100.996 ± 0.001°
γ	90°
Cell volume	17892.6 ± 1.3 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	0.101
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1508
Weighted residual factors for all reflections included in the refinement	0.1853
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	4117287.cif
74356	2013-02-26	cif/ Adding structures of 4117287 via cif-deposit CGI script.	4117287.cif