Information card for entry 2009182

Structure parameters

• Chemical name: (2,2'-Dipyridyl-N,N')bis(1,1,1- trifluoro-4-phenylbutane-2,4-dionato-O,O')manganese(II)
• Formula: C30 H20 F6 Mn N2 O4
• Calculated formula: C30 H20 F6 Mn N2 O4
• SMILES: [Mn]123([n]4ccccc4c4[n]1cccc4)(OC(=CC(=[O]2)c1ccccc1)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O3)c1ccccc1
• Title of publication: (2,2'-Bipyridyl-<i>N</i>,<i>N</i>')bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionato-<i>O</i>,<i>O</i>')manganese(II) at 173K
• Authors of publication: Dickman, Michael H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: IUC9900146
• a: 10.8394 ± 0.0006 Å
• b: 10.9358 ± 0.0006 Å
• c: 12.7335 ± 0.0007 Å
• α: 83.858 ± 0.001°
• β: 66.789 ± 0.001°
• γ: 84.065 ± 0.001°
• Cell volume: 1376.16 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.076
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No