Information card for entry 4320252

Structure parameters

• Formula: C26 H53 B2 Bi Cl N19 O6 S6
• Calculated formula: C24 H38 B2 Bi Cl N18 S6
• Title of publication: Hydridotris(thioxotriazolyl)borate (Tt), an Ambidentate (N3/S3) Tripodal Ligand. X-ray Crystal Structures of Sodium, Bismuth(III), Tin(IV), and Manganese(I) Complexes
• Authors of publication: Philip J. Bailey; Maurizio Lanfranchi; Luciano Marchiò; Simon Parsons
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5030 - 5035
• a: 13.941 ± 0.005 Å
• b: 13.941 ± 0.005 Å
• c: 22.285 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3751 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No