Information card for entry 7102685

Structure parameters

• Formula: C38 H38 B2 Cl4 F8 N2 Pd4
• Calculated formula: C38 H38 B2 Cl4 F8 N2 Pd4
• SMILES: [Pd]1234([Pd]5678[Pd]9%10%11%12[Pd]%13%14([N]#CC)([CH]%15=[CH]%10[C]9([CH]6=[CH]5[CH]2=[CH]1c1ccccc1)=CC=[CH]%13%15)[CH](=[CH]%14[CH]%11=[CH]%12[C]17=[CH]8[CH]3=[CH]4C=C1)c1ccccc1)[N]#CC.ClCCl.ClCCl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Stepwise growth of polypalladium chains in 1,4-diphenyl-1,3-butadiene sandwich complexes.
• Authors of publication: Tatsumi, Yasuki; Naga, Tomoki; Nakashima, Hiromitsu; Murahashi, Tetsuro; Kurosawa, Hideo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 12
• Pages of publication: 1430 - 1431
• a: 12.0844 ± 0.0006 Å
• b: 7.6585 ± 0.0003 Å
• c: 23.967 ± 0.001 Å
• α: 90°
• β: 95.888 ± 0.002°
• γ: 90°
• Cell volume: 2206.4 ± 0.2 ų
• Cell temperature: 213.2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No