Information card for entry 7000110

Structure parameters

• Formula: C60 H67 F3 O2 P4 Pd2
• Calculated formula: C60 H67 F3 O2 P4 Pd2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Pd]2([F][Pd]1([P](c1ccccc1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)C)C.F[H-]F.O1CCCC1.O1CCCC1
• Title of publication: Routes to unique palladium A-frame complexes with a bridging fluoro-ligand.
• Authors of publication: Braun, Thomas; Steffen, Andreas; Schorlemer, Verena; Neumann, Beate; Stammler, Hans-Georg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 20
• Pages of publication: 3331 - 3336
• a: 24.681 ± 0.0003 Å
• b: 9.238 ± 0.0001 Å
• c: 25.228 ± 0.0003 Å
• α: 90°
• β: 108.815 ± 0.0006°
• γ: 90°
• Cell volume: 5444.7 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No