Information card for entry 4330571

Structure parameters

• Formula: C13 H8 N3 Pd Tl
• Calculated formula: C13 H8 N3 Pd Tl
• Title of publication: New Dicyano Cyclometalated Compounds Containing Pd(II)-Tl(I) Bonds as Building Blocks in 2D Extended Structures: Synthesis, Structure, and Luminescence Studies
• Authors of publication: Violeta Sicilia; Juan Forniés; Sara Fuertes; Antonio Martín
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10581 - 10589
• a: 5.9007 ± 0.0003 Å
• b: 9.062 ± 0.0003 Å
• c: 23.458 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1254.35 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No