Crystallography Open Database

Information card for entry 4121539

Preview

Coordinates	4121539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H70 Er N3 O2
Calculated formula	C44 H63 Er N3 O2
Title of publication	Equatorially coordinated lanthanide single ion magnets.
Authors of publication	Zhang, Peng; Zhang, Li; Wang, Chao; Xue, Shufang; Lin, Shuang-Yan; Tang, Jinkui
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	12
Pages of publication	4484 - 4487
a	9.7539 ± 0.0006 Å
b	19.1763 ± 0.0012 Å
c	12.7327 ± 0.0008 Å
α	90°
β	112.144 ± 0.001°
γ	90°
Cell volume	2205.9 ± 0.2 Å³
Cell temperature	186 ± 2 K
Ambient diffraction temperature	186 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
179017 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/15.	4121539.cif
108227	2014-03-29	cif/ Adding structures of 4121538, 4121539 via cif-deposit CGI script.	4121539.cif