Information card for entry 4345040

Structure parameters

• Common name: Tetraethylammonium Tricyano[tris(3,5-dimethylpyrazol-1-yl)hydroborate]Titanium(III)
• Formula: C26 H42 B N10 Ti
• Calculated formula: C26 H42 B N10 Ti
• Title of publication: Titanium(III) Member of the Family of Trigonal Building Blocks with Scorpionate and Cyanide Ligands.
• Authors of publication: Brown, Andrew; Saber, Mohamed; Van den Heuvel, Willem; Schulte, Kelsey; Soncini, Alessandro; Dunbar, Kim R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1031 - 1035
• a: 11.634 ± 0.002 Å
• b: 8.1814 ± 0.0016 Å
• c: 15.62 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1486.7 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No