Information card for entry 7712409

Structure parameters

• Formula: C46 H43 Br3 P2 Pd
• Calculated formula: C46 H43 Br3 P2 Pd
• SMILES: [Pd](Br)([P](C)(C)c1ccccc1)([P](C)(C)c1ccccc1)c1c(c(Br)c(c(Br)c1/C=C/c1ccccc1)/C=C/c1ccccc1)/C=C/c1ccccc1
• Title of publication: Synthesis of Mono-, Di- and Tripalladated 1,3,5-Benzenetristyryl Complexes. CO Insertion to give a Dipalladated Indenone
• Authors of publication: Shenoy, Rashmi V.; Jones, P. G.; Soler, José Vicente; Martinez-Viviente, Eloisa
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.3541 ± 0.0003 Å
• b: 40.7113 ± 0.0011 Å
• c: 8.9369 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4130.99 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.0326
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No