Crystallography Open Database

Information card for entry 1517013

Preview

Coordinates	1517013.cif

Structure parameters

Formula	C21 H21 Lu3 N6 O80 W12
Calculated formula	C21 H21 Lu3 N6 O80 W12
Title of publication	Coordination polymers of lanthanide elements and metatungstate: Syntheses, structure and magnetic property
Authors of publication	Dan-Dan Liu; Ya-Guang Chen
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	401
Pages of publication	70 - 75
a	16.6308 ± 0.0008 Å
b	16.6308 ± 0.0008 Å
c	51.164 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	12255.2 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	1517013.cif
119881	2014-07-09	cif/ Adding structures of 1517013 via cif-deposit CGI script.	1517013.cif