Information card for entry 4086342

Structure parameters

• Common name: PNP(iPr)Y(H)2Ru(C5Me5)PPh2(C6H4)
• Formula: C54 H71 N P3 Ru Y
• Calculated formula: C54 H71 N P3 Ru Y
• SMILES: c12ccccc1[P](c1ccccc1)(c1ccccc1)[RuH2]1345([c]6([c]1([c]3([c]4([c]56C)C)C)C)C)[Y]132N(c2ccc(cc2[P]1(C(C)C)C(C)C)C)c1c(cc(cc1)C)[P]3(C(C)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: 11.3723 ± 0.0014 Å
• b: 14.7572 ± 0.0019 Å
• c: 18.146 ± 0.002 Å
• α: 84.35 ± 0.002°
• β: 75.826 ± 0.002°
• γ: 89.237 ± 0.002°
• Cell volume: 2938.1 ± 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: 0.0562
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No