Crystallography Open Database

Information card for entry 4325758

Preview

Coordinates	4325758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H189 As5 Li8 N18 O183 W40 Y4
Calculated formula	C52 As5 Li6 N18 O179.98 W40 Y4
Title of publication	Utilizing the Adaptive Polyoxometalate [As2W19O67(H2O)]14- To Support a Polynuclear Lanthanoid-Based Single-Molecule Magnet
Authors of publication	Chris Ritchie; Manfred Speldrich; Robert W. Gable; Lorenzo Sorace; Paul Kögerler; Colette Boskovic
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7004 - 7014
a	28.6009 ± 0.0011 Å
b	25.2575 ± 0.0006 Å
c	35.404 ± 0.0013 Å
α	90°
β	109.599 ± 0.005°
γ	90°
Cell volume	24093.6 ± 1.6 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0967
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.1743
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4325758.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325758.cif
46794	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325758 via cif-deposit CGI script.	4325758.cif