Crystallography Open Database

Information card for entry 1512841

Preview

Coordinates	1512841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H52 Er Mo12 N8 O50 P
Calculated formula	C48 H48 Er Mo12 N8 O48 P
Title of publication	New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization
Authors of publication	Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	770 - 775
a	16.876 ± 0.002 Å
b	16.876 ± 0.002 Å
c	28.208 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	8034 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	126
Hermann-Mauguin space group symbol	P 4/n n c :2
Hall space group symbol	-P 4a 2bc
Residual factor for all reflections	0.0968
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1377
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1512841.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512841.cif
90988	2013-11-22	cif/ Adding structures of 1512841 via cif-deposit CGI script.	1512841.cif