Information card for entry 4313892

Structure parameters

• Chemical name: Di-[(4,4(-di-tert-butyl-2,2(-bipyridine)platinum (1,3-dithiole-2-one-4,5-dithiolate)] [2,3,5,6-tetrafluoro,7,7,8,8-Tetracyanoquinodimethane]
• Formula: C56 H52 Cl4 F4 N8 O2 Pt2 S8
• Calculated formula: C56 H52 Cl4 F4 N8 O2 Pt2 S8
• SMILES: C12=C(S[Pt]3([n]4ccc(cc4c4[n]3ccc(c4)C(C)(C)C)C(C)(C)C)S1)SC(=O)S2.FC1=C(F)C(C(F)=C(F)C1=C(C#N)C#N)=C(C#N)C#N.ClCCl.C12=C(S[Pt]3([n]4ccc(cc4c4[n]3ccc(c4)C(C)(C)C)C(C)(C)C)S1)SC(=O)S2.C(Cl)Cl
• 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: 10.93 ± 0.002 Å
• b: 12.33 ± 0.003 Å
• c: 12.86 ± 0.003 Å
• α: 70.96 ± 0.03°
• β: 69.94 ± 0.03°
• γ: 78.48 ± 0.03°
• Cell volume: 1531.4 ± 0.7 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No