Information card for entry 7705061

Structure parameters

• Formula: C80 H85 N3 O P3 Pd Sc
• Calculated formula: C80 H85 N3 O P3 Pd Sc
• SMILES: [Pd]12[Sc]3(N(C45CC6CC(CC(C6)C5)C4)[P]1(c1ccccc1)c1ccccc1)(N(C14CC5CC(C1)CC(C4)C5)[P]2(c1ccccc1)c1ccccc1)OC(=C(c1ccccc1)c1ccccc1)P(=[N]3C12CC3CC(CC(C1)C3)C2)(c1ccccc1)c1ccccc1
• Title of publication: Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.
• Authors of publication: Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 35
• Pages of publication: 12311 - 12318
• a: 13.746 ± 0.0007 Å
• b: 14.8611 ± 0.0008 Å
• c: 20.7806 ± 0.0012 Å
• α: 101.234 ± 0.002°
• β: 95.789 ± 0.002°
• γ: 105.159 ± 0.002°
• Cell volume: 3966.9 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0893
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No