Crystallography Open Database

Information card for entry 4328538

Preview

Coordinates	4328538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 Er
Calculated formula	C18 H22 Er
Title of publication	Series of Lanthanide Organometallic Single-Ion Magnets
Authors of publication	Shang-Da Jiang; Shan-Shan Liu; Li-Nan Zhou; Bing-Wu Wang; Zhe-Ming Wang; Song Gao
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3079 - 3087
a	10.2662 ± 0.0008 Å
b	13.3052 ± 0.0013 Å
c	11.8298 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1615.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0874
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0523
Weighted residual factors for all reflections included in the refinement	0.0616
Goodness-of-fit parameter for all reflections included in the refinement	0.857
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
179388 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/85.	4328538.cif
77516	2013-03-28	cif/ Adding structures of 4328538 via cif-deposit CGI script.	4328538.cif