Information card for entry 4311204

Structure parameters

• Formula: C25 H16 N9 Pt Tl
• Calculated formula: C25 H16 N9 Pt Tl
• SMILES: c1cccc2c3[n](cccc3)[Tl]3([n]12)([n]1c(c2cccc[n]32)cccc1)[Pt](C#N)(C#N)(C#N)(C#N)C#N
• Title of publication: Modification of Binuclear Pt-Tl Bonded Complexes by Attaching Bipyridine Ligands to the Thallium Site
• Authors of publication: Guibin Ma; Mikael Kritikos; Mikhail Maliarik; Julius Glaser
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4328 - 4340
• a: 15.9426 ± 0.0019 Å
• b: 9.6982 ± 0.0008 Å
• c: 16.4515 ± 0.0019 Å
• α: 90°
• β: 98.977 ± 0.014°
• γ: 90°
• Cell volume: 2512.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No