Information card for entry 7047931

Structure parameters

• Chemical name: Lithium tetrakis[4-(N-tert-butylcarbamoyl)phenyl]borate
• Formula: C53 H74 B Li N4 O7.5
• Calculated formula: C53 H74 B Li N4 O7.5
• Title of publication: Synthesis of tetraarylborates via tetralithio intermediates and the effect of polar functional groups and cations on their crystal structures.
• Authors of publication: Tomaszewski, Patryk; Wiszniewski, Marcin; Serwatowski, Janusz; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 46
• Pages of publication: 16627 - 16637
• a: 17.56 ± 0.003 Å
• b: 22.0645 ± 0.0018 Å
• c: 16.8909 ± 0.0018 Å
• α: 90°
• β: 114.517 ± 0.015°
• γ: 90°
• Cell volume: 5954.4 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1956
• Residual factor for significantly intense reflections: 0.1089
• Weighted residual factors for significantly intense reflections: 0.2856
• Weighted residual factors for all reflections included in the refinement: 0.3516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No