Information card for entry 2232212

Structure parameters

• Chemical name: Bis{1-[4-(benzyloxy)phenyl]-4,4,4-trifluorobutane-1,3- dionato(1-)}dipyridinecobalt(II)
• Formula: C44 H34 Co F6 N2 O6
• Calculated formula: C44 H34 Co F6 N2 O6
• SMILES: [n]1(ccccc1)[Co]12([O]=C(c3ccc(cc3)OCc3ccccc3)C=C(O1)C(F)(F)F)([n]1ccccc1)[O]=C(c1ccc(OCc3ccccc3)cc1)C=C(O2)C(F)(F)F
• Title of publication: Bis{1-[4-(benzyloxy)phenyl]-4,4,4-trifluorobutane-1,3-dionato(1{-})}dipyridinecobalt(II)
• Authors of publication: Fan, Ling; Chen, Yongzhou; Wei, Xianhong; Yin, Guodong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1606
• a: 16.5435 ± 0.0011 Å
• b: 10.7359 ± 0.0007 Å
• c: 23.0706 ± 0.0014 Å
• α: 90°
• β: 107.333 ± 0.001°
• γ: 90°
• Cell volume: 3911.5 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes