Information card for entry 2008481

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 ų
• 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 Fobs: Yes