Information card for entry 4313893

Structure parameters

• Chemical name: Di-[(4,4(-di-tert-butyl-2,2(-bipyridine)platinum (1,3-dithiole-2-one-4,5-dithiolate)] Tetracyanoethylene
• Formula: C54 H54 N8 O2 Pt2 S8
• Calculated formula: C54 H54 N8 O2 Pt2 S8
• Title of publication: Structural, Magnetic, and Optoelectronic Properties of (Diimine)(dithiolato)platinum(II) and -palladium(II) Complexes and Their Charge-Transfer Adducts with Nitrile Acceptors
• Authors of publication: Bradley W. Smucker; Joshua M. Hudson; Mohammad A. Omary; Kim R. Dunbar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4714 - 4723
• a: 11.706 ± 0.002 Å
• b: 25.099 ± 0.005 Å
• c: 19.033 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5592.1 ± 1.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 66
• Hermann-Mauguin space group symbol: C c c m
• Hall space group symbol: -C 2 2c
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No