Information card for entry 4344052

Structure parameters

• Common name: catena-{[mu2-hydrido-2,2',2''-boranetriyltris(6-tert-butylpyrida- zine-3(2H)-thione)]-thallium(I)} methanol solvate (1:1)
• Chemical name: catena-{[mu2-hydrido-2,2',2''-boranetriyltris(6-tert-butylpyrida- zine-3(2H)-thione)]-thallium(I)} methanol solvate (1:1)
• Formula: C25 H38 B N6 O S3 Tl
• Calculated formula: C25 H38 B N6 O S3 Tl
• Title of publication: Photoinduced Reactivity of the Soft Hydrotris(6-tert-butyl-3-thiopyridazinyl)borate Scorpionate Ligand in Sodium, Potassium, and Thallium Salts.
• Authors of publication: Tüchler, Michael; Belaj, Ferdinand; Raber, Georg; Neshchadin, Dmytro; Mösch-Zanetti, Nadia C
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8168 - 8170
• a: 20.6029 ± 0.0007 Å
• b: 22.8353 ± 0.0008 Å
• c: 27.8886 ± 0.001 Å
• α: 87.2566 ± 0.0017°
• β: 78.5725 ± 0.0015°
• γ: 84.3548 ± 0.0016°
• Cell volume: 12793 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No