Crystallography Open Database

Information card for entry 4331784

Preview

Coordinates	4331784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H210 Mn12 N8 O98 Tb6
Calculated formula	C127 H134 Mn12 N8 O71 Tb6
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	19.6524 ± 0.0006 Å
b	21.3716 ± 0.0007 Å
c	26.7943 ± 0.0009 Å
α	95.474 ± 0.001°
β	98.128 ± 0.001°
γ	115.139 ± 0.001°
Cell volume	9932.5 ± 0.6 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	0.0974
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1714
Weighted residual factors for all reflections included in the refinement	0.1909
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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.	4331784.cif
97888	2014-01-29	cif/ Adding structures of 4331784 via cif-deposit CGI script.	4331784.cif