Information card for entry 2216657

Structure parameters

• Chemical name: trans-Dipyridinebis[3,3,3-trifluoro-1-(4-methoxybenzoyl)prop-1-en-2- olato]cobalt(II)
• Formula: C32 H26 Co F6 N2 O6
• Calculated formula: C32 H26 Co F6 N2 O6
• SMILES: COc1ccc(cc1)C1=CC(=[O][Co]2([n]3ccccc3)([n]3ccccc3)(O1)[O]=C(c1ccc(cc1)OC)C=C(O2)C(F)(F)F)C(F)(F)F
• Title of publication: <i>trans</i>-Bis(pyridine)bis[3,3,3-trifluoro-1-(4-methoxybenzoyl)prop-1-en-2-olato]cobalt(II)
• Authors of publication: Cheng, Hua; Shi, Xiaopeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3182 - m3182
• a: 7.3199 ± 0.001 Å
• b: 10.2375 ± 0.0015 Å
• c: 11.9968 ± 0.0017 Å
• α: 66.641 ± 0.002°
• β: 84.821 ± 0.002°
• γ: 71.477 ± 0.002°
• Cell volume: 781.91 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0638
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes