Information card for entry 4315238

Structure parameters

• Formula: C42 H32 As2 Mn2 N6 O12 S2
• Calculated formula: C42 H32 As2 Mn2 N6 O12 S2
• SMILES: [n]12c3cccc1c1[n](cccc1)[Mn]142([n]2ccccc32)[O]=[As]2(c3c(cccc3)S(=O)(=O)O[Mn]35([n]6ccccc6c6[n]3c(ccc6)c3[n]5cccc3)([O]=[As](c3c(cccc3)S(=O)(=O)O4)(O)O1)O2)O
• Title of publication: A Series of New Manganese(II) Sulfonate-Arsonates with 2D Layer, 1D Chain, and 0D Clusters Structures
• Authors of publication: Fei-Yan Yi; Qi-Pu Lin; Tian-Hua Zhou; Jiang-Gao Mao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3489 - 3500
• a: 8.512 ± 0.003 Å
• b: 10.03 ± 0.004 Å
• c: 13.327 ± 0.005 Å
• α: 87.898 ± 0.011°
• β: 71.709 ± 0.009°
• γ: 78.92 ± 0.012°
• Cell volume: 1059.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0652
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No