Information card for entry 2014116

Structure parameters

• Chemical name: di-μ-acetato-κ^4^O:O'-bis{[(S)-1-(1-aminoethyl)-4-fluorophenyl- k^2^C^2^,N]palladium(II)} benzene hemisolvate
• Formula: C23 H27 F2 N2 O4 Pd2
• Calculated formula: C23 H27 F2 N2 O4 Pd2
• SMILES: c1ccccc1.Fc1ccc2[C@H](C)[NH2][Pd]34(c2c1)[Pd]5([NH2][C@@H](C)c6ccc(cc56)F)([O]=C(O3)C)OC(=[O]4)C
• Title of publication: Diacetato-κ^2^<i>O</i>-bis[(<i>S</i>)-1-(4-fluorophenyl)ethylamine-κ<i>N</i>]palladium(II) and di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis{[(<i>S</i>)-2-(1-aminoethyl)-5-fluorophenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} benzene hemisolvate
• Authors of publication: Calmuschi, Beatrice; Jonas, Alexander Erik; Englert, Ulli
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m320 - m323
• a: 22.504 ± 0.005 Å
• b: 9.1632 ± 0.0019 Å
• c: 12.279 ± 0.003 Å
• α: 90°
• β: 109.131 ± 0.004°
• γ: 90°
• Cell volume: 2392.2 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes