Information card for entry 4311206

Structure parameters

• Formula: C21 H26 N7 O3 Pt S3 Tl
• Calculated formula: C21 H26 N7 O3 Pt S3 Tl
• SMILES: [Pt]([Tl]1([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[n]2ccccc2c2[n]1cccc2)(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: 9.4293 ± 0.0009 Å
• b: 17.335 ± 0.002 Å
• c: 18.2837 ± 0.0019 Å
• α: 90°
• β: 104.484 ± 0.012°
• γ: 90°
• Cell volume: 2893.6 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• 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: 0.1127
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 0.786
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No