Information card for entry 2243395

Structure parameters

• Chemical name: Bis(μ-3-chlorobenzoato)hexakis(dimethylformamide)tetrakis(μ~4~-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium(I)
• Formula: C60 H66.01 Cl2 Mn4 N10 Na2 O22
• Calculated formula: C60.0048 H66.0112 Cl2 Mn4 N10.0016 Na2 O22.0016
• 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: 12.0423 ± 0.0008 Å
• b: 12.3722 ± 0.0008 Å
• c: 12.6875 ± 0.0009 Å
• α: 102.839 ± 0.003°
• β: 111.628 ± 0.003°
• γ: 90.722 ± 0.004°
• Cell volume: 1704 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes