Information card for entry 1568185

Structure parameters

• Formula: C82 H136 B4 N4 Na4 O16
• Calculated formula: C82 H136 B4 N4 Na4 O16
• Title of publication: Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.
• Authors of publication: Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 849 - 860
• a: 10.2466 ± 0.0004 Å
• b: 14.7968 ± 0.0006 Å
• c: 15.6728 ± 0.0006 Å
• α: 108.371 ± 0.003°
• β: 95.677 ± 0.003°
• γ: 90.32 ± 0.003°
• Cell volume: 2242.4 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No