Information card for entry 4339083

Structure parameters

• Chemical name: Tetraethylammonium tetrakis(1,2-dicyanoethylenedithiolato)bis(thiophenolato)dimolybdate
• Formula: C44 H50 Mo2 N10 S10
• Calculated formula: C44 H50 Mo2 N10 S10
• 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: 11.824 ± 0.005 Å
• b: 14.496 ± 0.005 Å
• c: 16.5 ± 0.005 Å
• α: 98.803 ± 0.005°
• β: 109.364 ± 0.005°
• γ: 92.968 ± 0.005°
• Cell volume: 2620.7 ± 1.6 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: 0.039
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No