Information card for entry 7134288

Structure parameters

• Formula: C12 H14 Br Mn N2 O4
• Calculated formula: C12 H14 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: 7.3733 ± 0.0005 Å
• b: 8.8785 ± 0.0008 Å
• c: 12.8155 ± 0.0014 Å
• α: 79.837 ± 0.003°
• β: 75.722 ± 0.002°
• γ: 71.616 ± 0.004°
• Cell volume: 767.09 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0508
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No