Information card for entry 4086351

Structure parameters

• Common name: PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2CHCPhNH)
• Formula: C56 H74 N2 P3 Ru Y
• Calculated formula: C56 H74 N2 P3 Ru Y
• SMILES: [CH]1(=[C]2(c3ccccc3)N[Y]34512N(c1ccc(cc1[P]4(C(C)C)C(C)C)C)c1c(cc(cc1)C)[P]5(C(C)C)C(C)C)[P](c1ccccc1)(c1ccccc1)[RuH2]12453[c]3([c]1([c]2([c]4([c]35C)C)C)C)C
• 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: 11.8932 ± 0.0016 Å
• b: 11.9199 ± 0.0015 Å
• c: 20.255 ± 0.003 Å
• α: 86.46 ± 0.009°
• β: 76.49 ± 0.008°
• γ: 69.598 ± 0.008°
• Cell volume: 2616.3 ± 0.6 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: 0.0694
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No