Information card for entry 7705051

Structure parameters

• Formula: C66 H75 N3 P3 Sc
• Calculated formula: C66 H75 N3 P3 Sc
• SMILES: [Sc]123([P](N1C14CC5CC(C1)CC(C4)C5)(c1ccccc1)c1ccccc1)([P](N2C12CC4CC(C1)CC(C2)C4)(c1ccccc1)c1ccccc1)[P](N3C12CC3CC(C1)CC(C2)C3)(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: 23.373 ± 0.005 Å
• b: 13.307 ± 0.003 Å
• c: 20.286 ± 0.004 Å
• α: 90°
• β: 96.19 ± 0.03°
• γ: 90°
• Cell volume: 6273 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No