Information card for entry 7716558

Structure parameters

• Common name: (iPr2NNN)MnCl2
• Chemical name: (iPr2NNN)MnCl2
• Formula: C13 H19 Cl2 Mn N3
• Calculated formula: C13 H19 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: 11.2911 ± 0.0013 Å
• b: 12.0182 ± 0.0014 Å
• c: 12.2882 ± 0.0015 Å
• α: 90°
• β: 104.003 ± 0.003°
• γ: 90°
• Cell volume: 1617.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• 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: 0.058
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No