Information card for entry 2234747

Structure parameters

• Chemical name: Poly[[diaquabis(μ~3~-3,5- dicarboxybenzoato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)bis(μ~3~-5- carboxybenzene-1,3-dicarboxylato- κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)tetrakis(methylformamide- κ<i>O</i>)trimanganese(II)] dimethylformamide tetrasolvate]
• Formula: C60 H78 Mn3 N8 O34
• Calculated formula: C60 H78 Mn3 N8 O34
• Title of publication: Poly[[diaquabis(μ~3~-3,5-dicarboxybenzoato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)bis(μ~3~-5-carboxybenzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)tetrakis(methylformamide-κ<i>O</i>)trimanganese(II)] dimethylformamide tetrasolvate]
• Authors of publication: Lei, Jing-Wei; Xie, Cai-Xia; Yang, Huai-xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m697 - m698
• a: 9.826 ± 0.002 Å
• b: 13.29 ± 0.003 Å
• c: 14.698 ± 0.003 Å
• α: 73.22 ± 0.03°
• β: 83.32 ± 0.03°
• γ: 89.79 ± 0.03°
• Cell volume: 1824.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0737
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes