Information card for entry 2022728

Structure parameters

• Chemical name: Bis(2-methylimidazo[1,5-<i>a</i>]pyridin-2-ium) tetrachloridomanganate(II)
• Formula: C16 H18 Cl4 Mn N4
• Calculated formula: C16 H18 Cl4 Mn N4
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of the hybrid salt bis-(2-methyl-imidazo[1,5-<i>a</i>]pyridin-2-ium) tetra-chlorido-manganate(II).
• Authors of publication: Vassilyeva, Olga Yu; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 4
• Pages of publication: 397 - 401
• a: 9.4042 ± 0.0006 Å
• b: 10.7074 ± 0.0006 Å
• c: 10.7401 ± 0.0006 Å
• α: 99.211 ± 0.005°
• β: 110.852 ± 0.006°
• γ: 91.515 ± 0.005°
• Cell volume: 993.52 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0604
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes