Crystallography Open Database

Information card for entry 4117505

Preview

Coordinates	4117505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H458 Cl24 Gd42 Ni10 O410
Calculated formula	C72 H140 Cl24 Gd42 Ni10 O302
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	19.5958 ± 0.0009 Å
b	36.8464 ± 0.001 Å
c	27.0024 ± 0.0008 Å
α	90°
β	96.293 ± 0.004°
γ	90°
Cell volume	19379.2 ± 1.2 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	0.1835
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.1523
Weighted residual factors for all reflections included in the refinement	0.1662
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	4117505.cif
74605	2013-03-01	cif/ Adding structures of 4117505 via cif-deposit CGI script.	4117505.cif