Crystallography Open Database

Information card for entry 4117504

Preview

Coordinates	4117504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H480 Cl25 Co10 Dy42 O411
Calculated formula	C72 H143 Cl25 Co10 Dy42 O314
Title of publication	High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets
Authors of publication	Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	3314 - 3317
a	20.046 ± 0.003 Å
b	36.868 ± 0.006 Å
c	26.981 ± 0.004 Å
α	90°
β	97.142 ± 0.004°
γ	90°
Cell volume	19786 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1341
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.1882
Weighted residual factors for all reflections included in the refinement	0.2074
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
178946 (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 4/11/75.	4117504.cif
74604	2013-03-01	cif/ Adding structures of 4117504 via cif-deposit CGI script.	4117504.cif