Information card for entry 4107805

Structure parameters

• Formula: C64 H44 F10 Hg N4 O8 Pd4
• Calculated formula: C64 H44 F10 Hg N4 O8 Pd4
• SMILES: c1cccc2c1[Pd]13([n]4c2cccc4)[O]=C(O[Pd]21([n]1ccccc1c1ccccc21)[O]=C(O3)C)C.[Hg](c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.[Pd]123([n]4c(c5ccccc25)cccc4)[O]=C(O[Pd]23([n]3ccccc3c3ccccc23)[O]=C(O1)C)C
• 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: 9.3662 ± 0.0019 Å
• b: 12.94 ± 0.003 Å
• c: 24.519 ± 0.005 Å
• α: 90°
• β: 92.43 ± 0.03°
• γ: 90°
• Cell volume: 2969 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No