Information card for entry 7712477

Structure parameters

• Formula: C53 H72 As2 Cl4 O4 Pd
• Calculated formula: C53 H72 As2 Cl4 O4 Pd
• SMILES: [Pd]([As](c1ccccc1c1c(OC)cccc1OC)(C1CCCCC1)C1CCCCC1)([As](C1CCCCC1)(c1c(cccc1)c1c(OC)cccc1OC)C1CCCCC1)(Cl)Cl.ClCCl
• Title of publication: Steric and electronic effects of arsa-Buchwald ligands on Suzuki-Miyaura coupling reaction.
• Authors of publication: Sumida, Akifumi; Ogawa, Kenta; Imoto, Hiroaki; Naka, Kensuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2838 - 2844
• a: 10.8964 ± 0.0004 Å
• b: 10.9483 ± 0.0005 Å
• c: 23.1815 ± 0.0011 Å
• α: 86.695 ± 0.004°
• β: 83.153 ± 0.003°
• γ: 80.496 ± 0.003°
• Cell volume: 2706 ± 0.2 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No