Information card for entry 4086355

Structure parameters

• Common name: PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2CO)Co(C5Me5)CO
• Formula: C61 H83 Co N O2 P3 Ru Y
• Calculated formula: C61 H83 Co N O2 P3 Ru Y
• SMILES: C1C([Co]2345(C#[O])[c]6([c]2([c]3([c]4([c]56C)C)C)C)C)=[O][Y]23(N(c4ccc(cc4[P]3(C(C)C)C(C)C)C)c3c(cc(cc3)C)[P]2(C(C)C)C(C)C)[RuH]2345([c]6([c]5([c]4([c]3([c]26C)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: 14.248 ± 0.003 Å
• b: 14.371 ± 0.002 Å
• c: 29.847 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6111 ± 2 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: 0.0719
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1178
• 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