Crystallography Open Database

Information card for entry 4335480

Preview

Coordinates	4335480.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	hexakis(tetrabutylammonium)decatantalate, hexahydrate
Formula	C96 H228 N6 O34 Ta10
Calculated formula	C96 H216 N6 O34 Ta10
Title of publication	Decatantalate-The Last Member of the Group 5 Decametalate Family
Authors of publication	Miki Matsumoto; Yoshiki Ozawa; Atsushi Yagasaki; Yang Zhe
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7825 - 7827
a	15.5165 ± 0.0003 Å
b	19.4161 ± 0.0004 Å
c	21.6413 ± 0.0005 Å
α	90°
β	95.139 ± 0.001°
γ	90°
Cell volume	6493.7 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0874
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1487
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179457 (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 4/33/54.	4335480.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4335480.cif
101410	2014-02-13	cif/ Adding structures of 4335480 via cif-deposit CGI script.	4335480.cif