Crystallography Open Database

Information card for entry 2008481

2008480 << 2008481 >> 2008482

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Coordinates	2008481.cif
Structure factors	2008481.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	A W-Ag-Se Cluster Compound, (μ~3~-bromine)(μ~3~-tetraselenidotungstide)tris(triphenylphosphinesilver)- ethanol [(μ~3~-Br)(μ~3~-WSe~4~)(AgPPh~3~)~3~]^.^EtOH
Formula	C56 H51 Ag3 Br O P3 Se4 W
Calculated formula	C56 H51 Ag3 Br O P3 Se4 W
SMILES	[W]12([Se]3[Ag]([Se]2[Ag]([Se]1[Ag]3[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)=[Se].[Br-].CCO
Title of publication	A W‒Ag‒Se cluster compound: (μ~3~-bromo)(μ~3~-tetraselenidotungstide)tris(triphenylphosphinesilver) ethanol solvate, [(μ~3~-Br)(μ~3~-WSe~4~)(AgPPh~3~)~3~]^.^EtOH
Authors of publication	Zhang, Qianfeng; Xin, Xinquan; Hong, Maochun; Cao, Rong; S.Shanmuga Sundara Raj; Hoong-Kun Fun
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	5
Pages of publication	726 - 728
a	12.336 ± 0.001 Å
b	13.447 ± 0.001 Å
c	20.024 ± 0.001 Å
α	75.44 ± 0.01°
β	88.71 ± 0.01°
γ	63.8 ± 0.01°
Cell volume	2869.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.055
Residual factor for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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