Information card for entry 4339509

Structure parameters

• Formula: C30 H19 B N9 Tl
• Calculated formula: C30 H19 B N9 Tl
• Title of publication: Sandwich compounds of cyanotrispyrazolylborates: complexation-induced ligand isomerization.
• Authors of publication: Zhao, Ningfeng; Van Stipdonk, Michael J.; Bauer, Cary; Campana, Charles; Eichhorn, David M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8662 - 8667
• a: 15.077 Å
• b: 15.077 Å
• c: 8.056 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1585.92 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No