Information card for entry 2213584

Structure parameters

• Chemical name: Pentaaqua-1κ^2^O,2κ^3^O-bis(2,2'-bipyridine)-1κ^2^N,N';2κ^2^N,N'-μ- biphenyl-2,2'-dicarboxylato-1:2κ^2^O:O'-biphenyl-2,2'-dicarboxylato-1κO- dimanganese(II) tetrahydrate
• Formula: C48 H50 Mn2 N4 O17
• Calculated formula: C48 H50 Mn2 N4 O17
• SMILES: [Mn]1(OC(=O)c2c(c3c(cccc3)C(=O)O[Mn]3(OC(=O)c4c(c5c(cccc5)C(=O)[O-])cccc4)([OH2])([OH2])[n]4c(c5[n]3cccc5)cccc4)cccc2)([OH2])([OH2])([OH2])[n]2ccccc2c2[n]1cccc2.O.O.O.O
• Title of publication: Pentaaqua-1κ^2^<i>O</i>,2κ^3^<i>O</i>-bis(2,2'-bipyridine)-1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>,<i>N</i>'-μ-biphenyl-2,2'-dicarboxylato-1:2κ^2^<i>O</i>:<i>O</i>'-biphenyl-2,2'-dicarboxylato-1κ<i>O</i>-dimanganese(II) tetrahydrate
• Authors of publication: Du, Lin; Fang, Rui-Bing; Zhao, Qi-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1439 - m1441
• a: 10.014 ± 0.003 Å
• b: 13.167 ± 0.005 Å
• c: 20.051 ± 0.006 Å
• α: 79.5 ± 0.02°
• β: 75.92 ± 0.02°
• γ: 86.08 ± 0.02°
• Cell volume: 2520.6 ± 1.5 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: 0.168
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes