Crystallography Open Database

Information card for entry 4107230

Preview

Coordinates	4107230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 K15 Na O156.5 P4 Re2 W35
Calculated formula	C6 K15 Na O156.5 P4 Re2 W35
Title of publication	Synthesis and Characterization of a Metal-to-Polyoxometalate Charge Transfer Molecular Chromophore
Authors of publication	Chongchao Zhao; Zhuangqun Huang; William Rodríguez-Córdoba; Choon Sung Kambara; Kevin P. O'Halloran; Ken I. Hardcastle; Djamaladdin G. Musaev; Tianquan Lian; Craig L. Hill
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	20134 - 20137
a	12.819 ± 0.003 Å
b	22.511 ± 0.006 Å
c	25.188 ± 0.006 Å
α	100.326 ± 0.004°
β	97.652 ± 0.004°
γ	92.667 ± 0.004°
Cell volume	7069 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.175
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1721
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4107230.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107230.cif
54882	2012-04-30	cif/ Adding structures of 4107230 via cif-deposit CGI script.	4107230.cif