Information card for entry 4517789

Structure parameters

• Formula: C16 H28 Mn2 N2 O11
• Calculated formula: C16 H28 Mn2 N2 O11
• Title of publication: Synthesis, Characterization, and Crystal Structures of Two New Manganese Aceto EMIM Ionic Compounds with Chains of Mn2+ Ions Coordinated Exclusively by Acetate
• Authors of publication: Dera, Przemyslaw; Bruffey, Edward; Finkelstein, Gregory J.; Kelly, Colleen; Gigante, Angelina; Hagemann, Hans; Severa, Godwin
• Journal of publication: ACS Omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 25
• Pages of publication: 15592 - 15600
• a: 9.362 ± 0.002 Å
• b: 10.82 ± 0.003 Å
• c: 12.659 ± 0.003 Å
• α: 70.17 ± 0.005°
• β: 87.581 ± 0.005°
• γ: 79.631 ± 0.006°
• Cell volume: 1186.3 ± 0.5 ų
• Cell temperature: 573 ± 2 K
• Ambient diffraction temperature: 573 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No