Information card for entry 2236775

Structure parameters

• Chemical name: Poly[diaqua(μ~4~-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^4^<i>O</i>^1^: <i>O</i>^2^:<i>O</i>^4^:<i>O</i>^5^)(μ~2~-2,5-dicarboxybenzene-1,4- dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')dimanganese(II)]
• Formula: C44 H28 Mn2 N4 O18
• Calculated formula: C44 H28 Mn2 N4 O18
• Title of publication: Poly[diaqua(μ~4~-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^4^:<i>O</i>^5^)(μ~2~-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')dimanganese(II)]
• Authors of publication: Zhong, Kai-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1184 - m1185
• a: 9.88 ± 0.002 Å
• b: 10.246 ± 0.002 Å
• c: 11.272 ± 0.002 Å
• α: 86.29 ± 0.03°
• β: 71.82 ± 0.03°
• γ: 65.32 ± 0.03°
• Cell volume: 982.2 ± 0.5 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 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: 0.0379
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes