Information card for entry 2243396

Structure parameters

• Chemical name: Tetra-μ-aqua-tris(μ-3-chlorobenzoato)(dimethylformamide)tetrakis(μ~4~-<i>N</i>,2-dioxidobenzene-1-carboximidato)pentamanganese(III)sodium(I) dimethylformamide tetraolvate 0.72-hydrate
• Formula: C64 H72.44 Cl3 Mn5 N9 Na O27.72
• Calculated formula: C64 H72.436 Cl3 Mn5 N9 Na O27.718
• Title of publication: Synthesis and crystal structure of two manganese-based 12-metallacrown-4 complexes: Na~2~(3-chlorobenzoate)~2~[12-MC~Mn(III)N(shi)~-4](DMF)~6~ and MnNa(3-chlorobenzoate)~3~[12-MC~Mn(III)N(shi)~-4](DMF)(H~2~O)~4~·4DMF·0.72H~2~O
• Authors of publication: Zaleski, Curtis M.; Zeller, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 6
• Pages of publication: 848 - 856
• a: 14.1955 ± 0.0009 Å
• b: 16.3349 ± 0.0011 Å
• c: 16.6144 ± 0.001 Å
• α: 90°
• β: 94.235 ± 0.002°
• γ: 90°
• Cell volume: 3842.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes