Information card for entry 4339079

Structure parameters

• Chemical name: Tetraethylammonium tetrakis(1,2-dicyanoethylenedithiolato)bis(benzylthiolato)ditungstate
• Formula: C46 H54 N10 S10 W2
• Calculated formula: C46 H54 N10 S10 W2
• SMILES: [W]123(SC(C#N)=C(S1)C#N)(SC(C#N)=C(S2)C#N)[S]([W]12([S]3Cc3ccccc3)(SC(C#N)=C(S1)C#N)SC(=C(S2)C#N)C#N)Cc1ccccc1.[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: 11.332 ± 0.005 Å
• b: 15.089 ± 0.005 Å
• c: 18.625 ± 0.005 Å
• α: 101.109 ± 0.005°
• β: 98.54 ± 0.005°
• γ: 97.958 ± 0.005°
• Cell volume: 3044.2 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No