Crystallography Open Database

Information card for entry 4338332

Preview

Coordinates	4338332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H42 Cu3 N12 O43 W12
Calculated formula	C60 H42 Cu3 N12 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	12.1688 ± 0.0004 Å
b	25.226 ± 0.0009 Å
c	28.0399 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	8607.4 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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.	4338332.cif
115685	2014-06-05	cif/ Updating files of 4338332, 4338333, 4338334, 4338335, 4338336 Original log message: Adding full bibliography for 4338332--4338336.cif.	4338332.cif
113021	2014-05-08	cif/ Adding structures of 4338332, 4338333, 4338334, 4338335, 4338336 via cif-deposit CGI script.	4338332.cif