Information card for entry 1570527

Structure parameters

• Formula: C30 H31 B F4 Mn N5 O3
• Calculated formula: C30 H31 B F4 Mn N5 O3
• Title of publication: Two active species from a single metal halide precursor: a case study of highly productive Mn-catalyzed dehydrogenation of amine-boranes <i>via</i> intermolecular bimetallic cooperation.
• Authors of publication: Gulyaeva, Ekaterina S.; Osipova, Elena S.; Kovalenko, Sergey A.; Filippov, Oleg A.; Belkova, Natalia V.; Vendier, Laure; Canac, Yves; Shubina, Elena S.; Valyaev, Dmitry A.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 1409 - 1417
• a: 23.6994 ± 0.0002 Å
• b: 8.0465 ± 0.0001 Å
• c: 33.4683 ± 0.0002 Å
• α: 90°
• β: 99.912 ± 0.001°
• γ: 90°
• Cell volume: 6287.04 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No