Information card for entry 7716556

Structure parameters

• Common name: (Ph2NNN)MnCl2
• Chemical name: (Ph2NNN)MnCl2
• Formula: C19 H15 Cl2 Mn N3
• Calculated formula: C19 H15 Cl2 Mn N3
• Title of publication: Efficient net transfer-dehydrogenation of glycerol: NNN pincer-Mn and manganese chloride as a catalyst unlocks the effortless production of lactic acid and isopropanol.
• Authors of publication: Bisarya, Akshara; Dhole, Sunil; Kumar, Akshai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 30
• Pages of publication: 12698 - 12709
• a: 7.6526 ± 0.001 Å
• b: 17.402 ± 0.002 Å
• c: 13.8792 ± 0.0017 Å
• α: 90°
• β: 98.775 ± 0.004°
• γ: 90°
• Cell volume: 1826.7 ± 0.4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0453
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No