Information card for entry 2232926

Structure parameters

• Chemical name: Diaquabis(4,4'-bipyridine-κ<i>N</i>)bis(2,4,5-trifluoro-3- hydroxybenzoato-κ<i>O</i>^1^)manganese(II)
• Formula: C34 H24 F6 Mn N4 O8
• Calculated formula: C34 H24 F6 Mn N4 O8
• SMILES: Fc1c(C(=O)O[Mn]([OH2])([n]2ccc(cc2)c2ccncc2)([n]2ccc(cc2)c2ccncc2)(OC(=O)c2c(F)c(O)c(F)c(F)c2)[OH2])cc(F)c(c1O)F
• Title of publication: Diaquabis(4,4'-bipyridine-κ<i>N</i>)bis(2,4,5-trifluoro-3-hydroxybenzoato-κ<i>O</i>^1^)manganese(II)
• Authors of publication: Min, Chun-Gang; Yang, Xi-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1826
• a: 7.0706 ± 0.0006 Å
• b: 8.2939 ± 0.0007 Å
• c: 13.9856 ± 0.0012 Å
• α: 79.2 ± 0.001°
• β: 88.338 ± 0.001°
• γ: 79.83 ± 0.002°
• Cell volume: 792.96 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes