Information card for entry 7705054

Structure parameters

• Formula: C84 H90 N3 P4 Pd Yb
• Calculated formula: C84 H90 N3 P4 Pd Yb
• SMILES: [Yb]1(N(P(c2ccccc2)c2ccccc2)C23CC4CC(C2)CC(C3)C4)N([P]([Pd]([P](c2ccccc2)(N1C12CC3CC(C2)CC(C1)C3)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C12CC3CC(C1)CC(C3)C2
• 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: 19.7393 ± 0.0019 Å
• b: 16.2623 ± 0.0016 Å
• c: 22.283 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7153 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No