Crystallography Open Database

Information card for entry 2008168

2008167 << 2008168 >> 2008169

Preview

Coordinates	2008168.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tris(tetraethylammonium)tetrakis(thiophenolato-μ~3~- selenido-iron)
Formula	C48 H80 Fe4 N3 S4 Se4
Calculated formula	C48 H80 Fe4 N3 S4 Se4
SMILES	c1(ccccc1)S[Fe]12345[Se]6[Fe]7892(Sc2ccccc2)[Fe]2%101(Sc1ccccc1)([Fe]367(Sc1ccccc1)([Se]52)[Se]9%10)[Se]48.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
Title of publication	Tris(tetraethylammonium) tetra-μ~3~-selenido-tetrakis[(thiophenolato-<i>S</i>)iron]
Authors of publication	Hauptmann, Ralf; Schneider, Jörg; Chen, Changneng; Henkel, Gerald
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	2
Pages of publication	192 - 194
a	24.49 ± 0.005 Å
b	39.314 ± 0.008 Å
c	11.808 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	11369 ± 4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for significantly intense reflections	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.