Crystallography Open Database

Information card for entry 1517011

Preview

Coordinates	1517011.cif

Structure parameters

Formula	C21 H51 N6 O84 Tm3 W12
Calculated formula	C21 H51 N6 O84 Tm3 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	16.6502 ± 0.0004 Å
b	16.6502 ± 0.0004 Å
c	51.313 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	12319.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0636
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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.	1517011.cif
119879	2014-07-09	cif/ Adding structures of 1517011 via cif-deposit CGI script.	1517011.cif