Information card for entry 1570535

Structure parameters

• Chemical name: Manganesepentacarbonylbromidequinolinethiophene
• Formula: C19 H16 Br Mn N2 O3 S
• Calculated formula: C19 H16 Br Mn N2 O3 S
• Title of publication: Catalytic acceptorless dehydrogenative borylation of styrenes enabled by a molecularly defined manganese complex.
• Authors of publication: Das, Kuhali; Kundu, Abhishek; Sarkar, Koushik; Adhikari, Debashis; Maji, Biplab
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1098 - 1105
• a: 13.2068 ± 0.0004 Å
• b: 15.5782 ± 0.0005 Å
• c: 9.4496 ± 0.0003 Å
• α: 90°
• β: 98.364 ± 0.003°
• γ: 90°
• Cell volume: 1923.47 ± 0.11 ų
• Cell temperature: 106 ± 9 K
• Ambient diffraction temperature: 106 ± 9 K
• Number of distinct elements: 7
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No