Information card for entry 4339081

Structure parameters

• Chemical name: Tetraethylammonium tetrakis(1,2-dicyanoethylenedithiolato)bis(benzyalthiolato)dimolybdate
• Formula: C142 H168 Mo6 N32 S30
• Calculated formula: C142 H168 Mo6 N32 S30
• 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: 20.596 ± 0.005 Å
• b: 18.049 ± 0.005 Å
• c: 46.838 ± 0.005 Å
• α: 90°
• β: 94.498 ± 0.005°
• γ: 90°
• Cell volume: 17358 ± 7 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: 0.0827
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No