Crystallography Open Database

Information card for entry 4328539

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Structure parameters

Formula	C18 H23 Tm
Calculated formula	C18 H23 Tm
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	10.242 ± 0.0003 Å
b	13.3152 ± 0.0004 Å
c	11.8191 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1611.82 ± 0.08 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	0.0649
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.294
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4328539.cif
179388	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.	4328539.cif
77517	2013-03-28	cif/ Adding structures of 4328539 via cif-deposit CGI script.	4328539.cif