Information card for entry 4086354

Structure parameters

• Common name: PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2CO)Rh(C5Me5)CO
• Formula: C61 H84 N O2 P3 Rh Ru Y
• Calculated formula: C61 H84 N O2 P3 Rh Ru Y
• SMILES: C1C(=[O][Y]23(N(c4ccc(cc4[P]2(C(C)C)C(C)C)C)c2c(cc(cc2)C)[P]3(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)[Rh]1234(C#[O])[c]5([c]1([c]2([c]3([c]45C)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: 14.402 ± 0.0011 Å
• b: 14.352 ± 0.0011 Å
• c: 29.6397 ± 0.0019 Å
• α: 90°
• β: 90.978 ± 0.003°
• γ: 90°
• Cell volume: 6125.6 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No