Information card for entry 7035871

Structure parameters

• Formula: C33 H28 Br2 N O8 P Pd
• Calculated formula: C33 H28 Br2 N O8 P Pd
• SMILES: [Pd]1(/C(=C(C(=C(Br)\C(=O)OC)\C(=O)OC)/C(=O)OC)C(=O)OC)(Br)[n]2cccc3c2c(ccc3)[P]1(c1ccccc1)c1ccccc1
• Title of publication: The addition of bromine and iodine to palladacyclopentadienyl complexes bearing bidentate heteroditopic P-N spectator ligands derived from differently substituted quinolinic frames. The unexpected evolution of the reaction.
• Authors of publication: Canovese, Luciano; Visentin, Fabiano; Scattolin, Thomas; Santo, Claudio; Bertolasi, Valerio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 33
• Pages of publication: 15049 - 15058
• a: 13.9247 ± 0.0002 Å
• b: 13.3155 ± 0.0002 Å
• c: 18.1663 ± 0.0002 Å
• α: 90°
• β: 96.4251 ± 0.0008°
• γ: 90°
• Cell volume: 3347.14 ± 0.08 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0682
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No