Crystallography Open Database

Information card for entry 2206699

2206698 << 2206699 >> 2206700

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2206699.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	tetraethylammonium hexa-μ~3~-oxo-hexa-μ~2~oxo-tetradecaoxooctamolybdate
Formula	C32 H80 Mo8 N4 O26
Calculated formula	C32 H80 Mo8 N4 O26
SMILES	C([N+](CC)(CC)CC)C.C([N+](CC)(CC)CC)C.O1[Mo]23(=O)(O[Mo]45([O]2[Mo]2([O]6[Mo]71(=O)(=O)O[Mo]16(=O)(=O)O[Mo]68([O]2[Mo](O6)(=O)([O]4[Mo]([O]18)([O]37)=O)(=O)O5)(=O)=O)=O)(=O)=O)=O.C(C)[N+](CC)(CC)CC.C([N+](CC)(CC)CC)C
Title of publication	[(C~2~H~5~)~4~N]~4~[Mo~8~O~26~]: a redetermination and correction
Authors of publication	G. Kalpana; K. Vidyasagar
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	9
Pages of publication	m1885 - m1886
a	11.836 ± 0.006 Å
b	20.032 ± 0.007 Å
c	12.089 ± 0.012 Å
α	90°
β	105.04 ± 0.07°
γ	90°
Cell volume	2768 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0861
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1761
Weighted residual factors for all reflections included in the refinement	0.1812
Goodness-of-fit parameter for all reflections included in the refinement	1.183
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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