Information card for entry 4307616

Structure parameters

• Formula: C4 N4 Pd Tl2
• Calculated formula: C4 N4 Pd Tl2
• SMILES: C(#N)[Pd](C#N)(C#N)C#N.[Tl+].[Tl+]
• Title of publication: Metal-Metal Bonding in Tetracyanometalates (M = PtII, PdII, NiII) of Monovalent Thallium. Crystallographic and Spectroscopic Characterization of the New Compounds Tl2Ni(CN)4 and Tl2Pd(CN)4
• Authors of publication: Mikhail Maliarik; Jeffrey K. Nagle; Andrey Ilyukhin; Elena Murashova; János Mink; Mikhail Skripkin; Julius Glaser; Margit Kovacs; Attila Horváth
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4642 - 4653
• a: 6.277 ± 0.002 Å
• b: 7.437 ± 0.002 Å
• c: 9.591 ± 0.003 Å
• α: 90°
• β: 104.67°
• γ: 90°
• Cell volume: 433.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.044
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.266
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No