Information card for entry 7009232

Structure parameters

• Formula: C54 H44 B2 Cl N12 O4 S6 Tl
• Calculated formula: C54 H44 B2 Cl N12 O4 S6 Tl
• Title of publication: The synthesis and structural characterization of bis(mercaptoimidazolyl)(pyrazolyl)hydroborato and tris(mercaptoimidazolyl)hydroborato complexes of thallium(I) and thallium(III)
• Authors of publication: Kimblin, Clare; Bridgewater, Brian M.; Hascall, Tony; Parkin, Gerard
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 8
• Pages of publication: 1267
• a: 11.848 ± 0.0006 Å
• b: 12.0738 ± 0.0007 Å
• c: 22.1239 ± 0.0012 Å
• α: 90.296 ± 0.001°
• β: 97.423 ± 0.001°
• γ: 109.724 ± 0.001°
• Cell volume: 2950.1 ± 0.3 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No