Crystallography Open Database

Information card for entry 4338335

Preview

Coordinates	4338335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H33 Cu3 N9 O43 W12
Calculated formula	C45 H33 Cu3 N9 O43 W12
Title of publication	Symmetry Breaking of α-[H2W12O40](6-) Depends on the Transformation of Isopolyoxotungstates.
Authors of publication	Chi, Ying-Nan; Shen, Pan-Pan; Cui, Feng-Yun; Lin, Zheng-Guo; Chen, Shi-Lu; Hu, Chang-Wen
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	10
Pages of publication	5029 - 5036
a	18.1203 ± 0.0009 Å
b	13.3697 ± 0.0007 Å
c	28.7433 ± 0.0015 Å
α	90°
β	90.689 ± 0.001°
γ	90°
Cell volume	6962.9 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
179486 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/83.	4338335.cif
115685	2014-06-05	cif/ Updating files of 4338332, 4338333, 4338334, 4338335, 4338336 Original log message: Adding full bibliography for 4338332--4338336.cif.	4338335.cif
113021	2014-05-08	cif/ Adding structures of 4338332, 4338333, 4338334, 4338335, 4338336 via cif-deposit CGI script.	4338335.cif