Information card for entry 7718835

Structure parameters

• Formula: C24 H18 Br Cl2 Fe Mn N2 O3
• Calculated formula: C24 H18 Br Cl2 Fe Mn N2 O3
• Title of publication: Manganese(I)-catalyzed dehydrogenative borylation of terminal alkynes.
• Authors of publication: Ghanwat, Pratiksha B.; Bora, Debashree; Pandya, Rinu; Vanka, Kumar; Saha, Biswajit; Sen, Sakya S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 26
• Pages of publication: 10426 - 10432
• a: 9.6556 ± 0.0012 Å
• b: 10.7004 ± 0.0012 Å
• c: 13.2591 ± 0.0016 Å
• α: 112.602 ± 0.001°
• β: 91.1 ± 0.002°
• γ: 109.359 ± 0.003°
• Cell volume: 1176.2 ± 0.2 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No