Information card for entry 4313894

Structure parameters

• Common name: [(dbbpy)Pd(dmid)]2[TCNQ]
• Chemical name: Di-[(4,4(-di-tert-butyl-2,2(-bipyridine)paladium (1,3-dithiole-2-one-4,5-dithiolate)] [7,7,8,8-Tetracyanoquinodimethane]
• Formula: C56 H56 Cl4 N8 O2 Pd2 S8
• Calculated formula: C56 H56 Cl4 N8 O2 Pd2 S8
• SMILES: C12=C(S[Pd]3([n]4ccc(cc4c4cc(cc[n]34)C(C)(C)C)C(C)(C)C)S1)SC(=O)S2.N#CC(=C1C=CC(C=C1)=C(C#N)C#N)C#N.ClCCl.C12=C(S[Pd]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: 11.119 ± 0.002 Å
• b: 12.086 ± 0.002 Å
• c: 12.767 ± 0.003 Å
• α: 72.38 ± 0.03°
• β: 69.88 ± 0.03°
• γ: 78.74 ± 0.03°
• Cell volume: 1527.4 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.758
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No