Information card for entry 4086350

Structure parameters

• Common name: PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2tBuCN)
• Formula: C54 H78 N2 P3 Ru Y
• Calculated formula: C54 H78 N2 P3 Ru Y
• 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: 16.3604 ± 0.0011 Å
• b: 20.4007 ± 0.0014 Å
• c: 20.7574 ± 0.0014 Å
• α: 91.061 ± 0.003°
• β: 110.192 ± 0.002°
• γ: 93.133 ± 0.003°
• Cell volume: 6487.4 ± 0.8 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: 0.0587
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No