Information card for entry 4339086

Structure parameters

• Chemical name: Tetraethylammonium tetrakis(1,2-dicyanoethylenedithiolato)bis(ethanethiolato)ditungstate
• Formula: C36 H50 N10 S10 W2
• Calculated formula: C36 H50 N10 S10 W2
• SMILES: [W]123(SC(C#N)=C(S1)C#N)(SC(C#N)=C(S2)C#N)[S]([W]12([S]3CC)(SC(=C(S1)C#N)C#N)SC(C#N)=C(S2)C#N)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• Title of publication: Desoxo molybdenum(IV) and tungsten(IV) bis(dithiolene) complexes: monomer-dimer interconversion involving reversible thiol bridge formation.
• Authors of publication: Majumdar, Amit; Pal, Kuntal; Nagarajan, Kowliki; Sarkar, Sabyasachi
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 6136 - 6147
• a: 19.57 ± 0.005 Å
• b: 14.516 ± 0.005 Å
• c: 19.563 ± 0.005 Å
• α: 90°
• β: 113.941 ± 0.005°
• γ: 90°
• Cell volume: 5079 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No