Crystallography Open Database

Information card for entry 4117285

Preview

Coordinates	4117285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H222 Co8 N4 O73 P8 Tb8
Calculated formula	C112 H222 Co8 N4 O73 P8 Tb8
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	35.5222 ± 0.0017 Å
b	20.7264 ± 0.0011 Å
c	25.0267 ± 0.0012 Å
α	90°
β	102.029 ± 0.001°
γ	90°
Cell volume	18021.3 ± 1.6 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	0.1357
Residual factor for significantly intense reflections	0.1003
Weighted residual factors for significantly intense reflections	0.2398
Weighted residual factors for all reflections included in the refinement	0.2754
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4117285.cif
74354	2013-02-26	cif/ Adding structures of 4117285 via cif-deposit CGI script.	4117285.cif