Crystallography Open Database

Information card for entry 4030682

Preview

Coordinates	4030682.cif

Structure parameters

Formula	C24 H88 N6 O36 V10
Calculated formula	C24 N6 O36 V10
SMILES	C(C)(C)(C)[NH3+].C(C)([NH3+])(C)C.C([NH3+])(C)(C)C.[O]12345[V]6789O[V]%10%111(O[V]1%125(O[V]53([O]7[V]37%13([O]%14%15%166[V]62([O]2[V]%17%14([O]8[V]42(O%10)(=O)O1)(O[V]%16(O7)(O[V]%15(O6)(O%17)(O%13)=O)(=O)O9)=O)([O]53)O%12)=O)(O%11)=O)=O)=O.O.O.O.O.C(C)(C)(C)[NH3+].C(C)(C)(C)[NH3+].C([NH3+])(C)(C)C.O.O.O.O
Title of publication	Tert-butylammonium condensed vanadates. I. Hexakis(tert-butylammonium decavanadate octahydrate)
Authors of publication	Averbuch-Pouchot, M.-T.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1994
Journal volume	31
Pages of publication	557 - 565
a	11.684 ± 0.001 Å
b	26.367 ± 0.003 Å
c	10.535 ± 0.001 Å
α	90°
β	114.08 ± 0.03°
γ	90°
Cell volume	2963.1 ± 0.9 Å³
Ambient diffraction temperature	294 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.5608 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178485 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/06.	4030682.cif
131770	2015-02-12	cif/ Adding structures of 4030682 via cif-deposit CGI script.	4030682.cif