Information card for entry 4339084

Structure parameters

• Chemical name: Tetraphenylphosphonium bis(1,2-dicyanoethylenedithiolato)-bis(phenylthiolato)-tungsten(IV)
• Formula: C69.5 H54 N4 O0.5 P2 S6 W
• Calculated formula: C69.5 H54 N4 O0.5 P2 S6 W
• 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: 13.467 ± 0.005 Å
• b: 32.375 ± 0.005 Å
• c: 16.133 ± 0.005 Å
• α: 90 ± 0.005°
• β: 111.143 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6560 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No