Information card for entry 8104912

Structure parameters

• Formula: C30 H52 B N6 Tl
• Calculated formula: C30 H52 B N6 Tl
• Title of publication: Crystal structure of {hydridotris[3-(t-butyl)-5-isopropylpyrazol-1-yl-κN 3]borato}thallium(I), C30H52BN6Tl
• Authors of publication: Fujisawa, Kiyoshi; Shimizu, Daichi; Tiekink, Edward R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 169 - 172
• a: 9.611 ± 0.003 Å
• b: 17.586 ± 0.005 Å
• c: 19.71 ± 0.006 Å
• α: 90°
• β: 98.374 ± 0.007°
• γ: 90°
• Cell volume: 3295.8 ± 1.7 ų
• Cell temperature: 182 ± 2 K
• Ambient diffraction temperature: 182 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No