Information card for entry 2200334

Structure parameters

• Chemical name: trans-bis(Triphenylphosphine)bis(4,4,4-trifluoro-1-phenyl- 1,3-butanedionato-O,O')nickel(II)
• Formula: C56 H42 F6 Ni O4 P2
• Calculated formula: C56 H42 F6 Ni O4 P2
• SMILES: FC(F)(F)C1=[O][Ni]2(OC(=C1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[O]=C(C(F)(F)F)C=C(O2)c1ccccc1
• Title of publication: <i>trans</i>-Bis(4,4,4-trifluoro-1-phenyl-1,3-butanedionato-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)nickel(II) at 173K
• Authors of publication: Dickman, Michael H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: m220 - m221
• a: 10.7917 ± 0.0014 Å
• b: 11.0583 ± 0.0014 Å
• c: 11.7156 ± 0.0015 Å
• α: 63.282 ± 0.002°
• β: 77.173 ± 0.002°
• γ: 71.153 ± 0.002°
• Cell volume: 1177 ± 0.3 ų
• Cell temperature: 171 ± 2 K
• Ambient diffraction temperature: 171 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes