Crystallography Open Database

Information card for entry 4030904

Preview

Coordinates	4030904.cif

Structure parameters

Formula	H36 Mo6 Ni3 O42 Te
Calculated formula	Mo6 Ni3 O42 Te
SMILES	[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[O]12[Te]3456[O]7[Mo]81(=O)(O[Mo]17(O[Mo]7(O[Mo]9(O[Mo]%10(O[Mo]2([O]3%10)(O8)(=O)=O)([O]49)(=O)=O)([O]57)(=O)=O)([O]61)(=O)=O)(=O)=O)=O.[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[OH2][Ni]([OH2])([OH2])([OH2])([OH2])[OH2]
Title of publication	Synthesis and characterization of the molybdotellurates : [M(H2O)6]3.[TeMo6O24] : M = Ni(II) and Co(II)
Authors of publication	Lorenzo-Luis, P. A.; Martin-Zarza, P.; Gili, P.; Saez Puche, R.; Jimenez-Jimenez, J.; Rodriguez-Castellon, E.; Ruiz-Perez, C.; Gonzalez-Platas, J.; Solans, X.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1997
Journal volume	34
Pages of publication	1259 - 1271
a	17.906 ± 0.005 Å
b	17.906 ± 0.005 Å
c	19.458 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	5403 ± 3 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1417
Goodness-of-fit parameter for all reflections included in the refinement	1.394
Diffraction radiation probe	x-ray
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
178488 (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 4/03/09.	4030904.cif
134569	2015-04-01	cif/ Adding structures of 4030904 via cif-deposit CGI script.	4030904.cif