Information card for entry 4330570

Structure parameters

• Formula: C15 H8 N3 Pd Tl
• Calculated formula: C15 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: 15.1048 ± 0.0003 Å
• b: 24.1782 ± 0.0005 Å
• c: 7.1984 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2628.91 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No