Crystallography Open Database

Information card for entry 4331790

Preview

Coordinates	4331790.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-Gd
Formula	C140 H234 Gd6 Mn12 N8 O100
Calculated formula	C128 H140 Gd6 Mn12 N8 O71
Title of publication	Symmetry-Related [LnIII6MnIII12] Clusters toward Single-Molecule Magnets and Cryogenic Magnetic Refrigerants
Authors of publication	Jun-Liang Liu; Wei-Quan Lin; Yan-Cong Chen; Ji-Dong Leng; Fu-Sheng Guo; Ming-Liang Tong
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	457 - 463
a	19.5839 ± 0.0011 Å
b	20.1363 ± 0.001 Å
c	26.3657 ± 0.0012 Å
α	81.921 ± 0.001°
β	89.758 ± 0.001°
γ	66.47 ± 0.001°
Cell volume	9422.7 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1431
Residual factor for significantly intense reflections	0.1066
Weighted residual factors for significantly intense reflections	0.293
Weighted residual factors for all reflections included in the refinement	0.3259
Goodness-of-fit parameter for all reflections included in the refinement	1.169
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
179420 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/17.	4331790.cif
97894	2014-01-29	cif/ Adding structures of 4331790 via cif-deposit CGI script.	4331790.cif