Information card for entry 7712408

Structure parameters

• Formula: C72 H63 Br3 Cl3 O0.5 P2 Pd
• Calculated formula: C69 H57 Br3 P2 Pd
• SMILES: [Pd](Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(c(Br)c(c(Br)c1/C=C/c1ccc(cc1)C)/C=C/c1ccc(cc1)C)/C=C/c1ccc(cc1)C
• 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: 13.4054 ± 0.0005 Å
• b: 14.5302 ± 0.0007 Å
• c: 18.0084 ± 0.0007 Å
• α: 72.181 ± 0.005°
• β: 85.818 ± 0.005°
• γ: 76.627 ± 0.004°
• Cell volume: 3248.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0491
• 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