Crystallography Open Database

Information card for entry 4330967

Preview

Coordinates	4330967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H60 Na O88 P2 Rb9 Sb4 W18
Calculated formula	C24 H20 O82.5 P2 Rb9 Sb4 W18
SMILES	[W]1234(O[Sb](O[W]56(=O)(O1)O[W]178(=O)[O]9%10[W]%11%12(=O)(O1)O[W]1%13%14(O[Sb](O[W](=O)(O3)([O]1=P%10([O]1[W]3(=O)([O]=[Sb]%10(c%15ccccc%15)O[W]%15%16%17(=O)O[W]%18%19(O%10)(=O)O[W]%10%20%21(=O)[O]%22%23[W]%24%25(=O)(O%10)O[W]%10%26%27(O[Sb](c%28ccccc%28)(=[O][W]1(=O)(O8)(O6)O3)O[W](=O)(O%16)([O]%10=P%23([O]1[W](=O)(=O)(O%25)(O%26)O[W]1(=O)(=O)(O%21)O%19)[O]%17%18)(O%27)O[W]%22(=O)(O%15)(O%20)O%24)=O)(O%12)O%13)[O]45)(O%14)O[W]9(=O)(O2)(O7)O%11)c1ccccc1)=O)c1ccccc1)=O.[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].O.O.O.O.O.O.O.O.[Rb+].[Rb+].[Rb+].[Rb+].O.O.O.O.O.O.O
Title of publication	Synthesis and Biological Activity of Organoantimony(III)-Containing Heteropolytungstates
Authors of publication	Maria Barsukova-Stuckart; Luis F. Piedra-Garza; Bimersha Gautam; Gabriela Alfaro-Espinoza; Natalya V. Izarova; Abhishek Banerjee; Bassem S. Bassil; Matthias S. Ullrich; Hans J. Breunig; Cristian Silvestru; Ulrich Kortz
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	12015 - 12022
a	12.7882 ± 0.0016 Å
b	13.9014 ± 0.0016 Å
c	16.236 ± 0.002 Å
α	73.118 ± 0.007°
β	77.083 ± 0.008°
γ	65.203 ± 0.007°
Cell volume	2490 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1607
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179412 (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 4/33/09.	4330967.cif
80427	2013-04-07	cif/ Adding structures of 4330967 via cif-deposit CGI script.	4330967.cif