Crystallography Open Database

Information card for entry 4331786

Preview

Coordinates	4331786.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1-Gd
Formula	C122 H190 Gd6 Mn12 N8 O88
Calculated formula	C116 H140 Gd6 Mn12 N8 O69
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	22.6535 ± 0.0017 Å
b	37.36 ± 0.003 Å
c	46.159 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	39066 ± 5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1099
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1684
Weighted residual factors for all reflections included in the refinement	0.198
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	4331786.cif
97890	2014-01-29	cif/ Adding structures of 4331786 via cif-deposit CGI script.	4331786.cif