Information card for entry 4107804

Structure parameters

• Formula: C56 H36 Cl4 F10 Hg N4 O4 Pd2
• Calculated formula: C56 H36 Cl4 F10 Hg N4 O4 Pd2
• SMILES: c12ccccc2C=[N]2c3ccccc3[N]3=Cc4ccccc4O[Pd]23O1.[Hg](c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.[Pd]123[N](c4c([N]1=Cc1c(cccc1)O2)cccc4)=Cc1ccccc1O3.ClCCCl.C(CCl)Cl
• Title of publication: Hg(II)...Pd(II) Metallophilic Interactions
• Authors of publication: Mieock Kim; Thomas J. Taylor; François P. Gabbaï
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 6332 - 6333
• a: 13.7936 ± 0.0008 Å
• b: 9.9402 ± 0.0006 Å
• c: 18.7739 ± 0.0011 Å
• α: 90°
• β: 92.146 ± 0.002°
• γ: 90°
• Cell volume: 2572.3 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No