Information card for entry 7104071

Structure parameters

• Formula: C35 H44 Cl8 N4 P2 Pd2
• Calculated formula: C35 H44 Cl8 N4 P2 Pd2
• SMILES: [Pd]12([Pd]3(Cl)[P](C[P]1(c1c([N]2(C)C)cccc1)c1c(N(C)C)cccc1)(c1c([N]3(C)C)cccc1)c1c(N(C)C)cccc1)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Diastereoselective formation of a dipalladium(I) complex supported by a bridging tetradentate ligand, and oxidative addition of RS‒H across a phosphine-bridged Pd^I^‒Pd^I^ bond
• Authors of publication: Foo, S. Jo Ling; Jones, Nathan D.; Patrick, Brian O.; James, Brian R.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 988 - 989
• a: 44.988 ± 0.004 Å
• b: 9.984 ± 0.002 Å
• c: 24.531 ± 0.004 Å
• α: 90°
• β: 122.73 ± 0.01°
• γ: 90°
• Cell volume: 9269 ± 3 ų
• Cell temperature: 198.2 K
• Ambient diffraction temperature: 198.2 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: 0.1343
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections: 1.393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.393
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No