Information card for entry 7705059

Structure parameters

• Formula: C98 H100 N3 O P4 Pd Y
• Calculated formula: C98 H100 N3 O P4 Pd Y
• SMILES: [Y]1(OC(=C(c2ccccc2)c2ccccc2)P(=[N]1C12CC3CC(C1)CC(C2)C3)(c1ccccc1)c1ccccc1)(N([P]([Pd]1[P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)C23CC4CC(C3)CC(C2)C4)N([P]1(c1ccccc1)c1ccccc1)C12CC3CC(C2)CC(C1)C3
• 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: 15.7099 ± 0.0007 Å
• b: 16.2124 ± 0.0008 Å
• c: 20.5395 ± 0.0011 Å
• α: 90.746 ± 0.002°
• β: 97.105 ± 0.002°
• γ: 92.274 ± 0.002°
• Cell volume: 5186.2 ± 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: 0.1203
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No