Crystallography Open Database

Information card for entry 1517942

Preview

Coordinates	1517942.cif

Structure parameters

Formula	H40 Mo6 N2 Na4 O40 Te
Calculated formula	H40 Mo6 N2 Na4 O40 Te
SMILES	[Te]12345[O]6[Mo]78(O[Mo]96(O[Mo]6(O[Mo]%10([O]26)([O]5[Mo]2(O[Mo](O7)(=O)(=O)([O]18)[O]42)(O%10)(=O)=O)(=O)=O)(=O)(=O)[O]39)(=O)=O)(=O)=O.[Na]([OH2])([OH2])([OH2])([OH2])[OH2].[Na]([OH2])([OH2])([OH2])([OH2])[OH2].[Na]1([OH2])([OH2])[OH2][Na]([OH2])([OH2])[OH2]1.[NH4+].[NH4+]
Title of publication	On the proton-acceptor properties of [TeMo6O24]6- in Na4(NH4)2[TeMo6O24].16H2O
Authors of publication	Robl, Christian; Frost, Mona
Journal of publication	Zeitschrift fuer Anorganische und Allgemeine Chemie
Year of publication	1993
Journal volume	619
Pages of publication	1132 - 1136
a	10.753 ± 0.001 Å
b	10.742 ± 0.001 Å
c	10.898 ± 0.001 Å
α	96.259 ± 0.009°
β	118.556 ± 0.007°
γ	113.355 ± 0.008°
Cell volume	943 ± 0.2 Å³
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0204
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517942.cif
124944	2014-10-06	cif/ Adding structures of 1517942 via cif-deposit CGI script.	1517942.cif