Information card for entry 7705053

Structure parameters

• Formula: C66 H75 Lu N3 P3
• Calculated formula: C66 H75 Lu N3 P3
• SMILES: [Lu](N(C12CC3CC(C2)CC(C1)C3)P(c1ccccc1)c1ccccc1)(N(P(c1ccccc1)c1ccccc1)C12CC3CC(C2)CC(C3)C1)N(C12CC3CC(CC(C3)C2)C1)P(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: 23.6419 ± 0.0017 Å
• b: 13.4745 ± 0.001 Å
• c: 20.3693 ± 0.0019 Å
• α: 90°
• β: 96.253 ± 0.004°
• γ: 90°
• Cell volume: 6450.3 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.067
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No