Information card for entry 4086353

Structure parameters

• Common name: PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2tBuNC)
• Formula: C54 H78 N2 P3 Ru Y
• Calculated formula: C54 H78 N2 P3 Ru Y
• SMILES: C1C2=[N](C(C)(C)C)[Y]342(N(c2ccc(cc2[P]3(C(C)C)C(C)C)C)c2c(cc(cc2)C)[P]4(C(C)C)C(C)C)[RuH2]2345([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)[P]1(c1ccccc1)c1ccccc1
• Title of publication: PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands
• Authors of publication: O, Wylie W. N.; Kang, Xiaohui; Luo, Yi; Hou, Zhaomin
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 1030 - 1043
• a: 12.5301 ± 0.0012 Å
• b: 14.5762 ± 0.0015 Å
• c: 15.3222 ± 0.0014 Å
• α: 94.799 ± 0.005°
• β: 95.935 ± 0.004°
• γ: 99.34 ± 0.005°
• Cell volume: 2732.1 ± 0.5 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1496
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1449
• 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