Information card for entry 7716555

Structure parameters

• Common name: (Cy2NNN)MnCl2
• Chemical name: (Cy2NNN)MnCl2
• Formula: C19 H26 Cl2 Mn N3
• Calculated formula: C19 H26 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: 7.7457 ± 0.0018 Å
• b: 15.224 ± 0.004 Å
• c: 17.898 ± 0.004 Å
• α: 90°
• β: 100.367 ± 0.006°
• γ: 90°
• Cell volume: 2076.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No