Information card for entry 7134287

Structure parameters

• Formula: C11 H12 Br Mn N2 O4
• Calculated formula: C11 H12 Br Mn N2 O4
• Title of publication: Designing a NNO-manganese complex overcoming steric constraints in (de)hydrogenative coupling.
• Authors of publication: Mondal, Avijit; Phukan, Hirak Jyoti; Mohar, Kailash; Pal, Debjyoti; Sharma, Rahul; Purkayastha, Siddhartha; Guha, Ankur Kanti; Srimani, Dipankar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 25
• Pages of publication: 4796 - 4799
• a: 7.963 ± 0.005 Å
• b: 21.994 ± 0.012 Å
• c: 8.314 ± 0.005 Å
• α: 90°
• β: 98.6 ± 0.02°
• γ: 90°
• Cell volume: 1439.7 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No