Information card for entry 7134286

Structure parameters

• Formula: C12 H13 Mn N2 O4
• Calculated formula: C12 H13 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: 13.0025 ± 0.0011 Å
• b: 14.8905 ± 0.0012 Å
• c: 14.8729 ± 0.0012 Å
• α: 90°
• β: 92.647 ± 0.002°
• γ: 90°
• Cell volume: 2876.5 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No