Information card for entry 4086348

Structure parameters

• Common name: PNP(iPr)Y(H)Ru(C5Me5)(CH2)(PPh2C6H4HCO)
• Formula: C55 H71 N O P3 Ru Y
• Calculated formula: C55 H71 N O P3 Ru Y
• SMILES: C12c3c(cccc3)[P](c3ccccc3)(c3ccccc3)[RuH]34562([c]2(C)[c]4([c]5(C)[c]6([c]23C)C)C)[Y]234(c5(ccc(cc5[P]3(C(C)C)C(C)C)C)N2c2c(cc(cc2)C)[P]4(C(C)C)C(C)C)O1
• 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: 12.013 ± 0.0007 Å
• b: 13.0591 ± 0.0008 Å
• c: 18.1664 ± 0.0011 Å
• α: 89.331 ± 0.002°
• β: 76.634 ± 0.002°
• γ: 87.023 ± 0.002°
• Cell volume: 2769 ± 0.3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 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: 0.046
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No