Crystallography Open Database

Information card for entry 1515478

Preview

Coordinates	1515478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H196 Dy6 Mn12 N8 O93
Calculated formula	C116 H140 Dy6 Mn12 N8 O69
Title of publication	Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies
Authors of publication	Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	7
Pages of publication	1268
a	22.6849 ± 0.0012 Å
b	37.2467 ± 0.0018 Å
c	45.91 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	38791 ± 4 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	0.1483
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1795
Weighted residual factors for all reflections included in the refinement	0.2274
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515478.cif
111827	2014-04-28	cif/ Adding structures of 1515478, 1515479, 1515480 via cif-deposit CGI script.	1515478.cif