Information card for entry 7023778

Structure parameters

• Formula: C53 H44 O P2 Pd
• Calculated formula: C53 H44 O P2 Pd
• SMILES: [Pd]1([CH](C(=O)/C=C/c2ccccc2)=[CH]1c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of new styrylarenes via Suzuki-Miyaura coupling catalysed by highly active, well-defined palladium catalysts.
• Authors of publication: Majchrzak, Mariusz; Kostera, Sylwia; Kubicki, Maciej; Kownacki, Ireneusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 44
• Pages of publication: 15535 - 15539
• a: 10.8591 ± 0.0006 Å
• b: 11.7884 ± 0.0004 Å
• c: 17.586 ± 0.0007 Å
• α: 100.507 ± 0.003°
• β: 96.062 ± 0.004°
• γ: 94.798 ± 0.004°
• Cell volume: 2188.86 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No