Information card for entry 7707791

Structure parameters

• Chemical name: [Ru(H)2(t-BuNC)(PNPH)]2(NaBEt4)
• Formula: C50 H116 B N4 Na P4 Ru2
• Calculated formula: C50 H116 B N4 Na P4 Ru2
• Title of publication: Isonitrile ruthenium and iron PNP complexes: synthesis, characterization and catalytic assessment for base-free dehydrogenative coupling of alcohols.
• Authors of publication: Nguyen, Duc Hanh; Merel, Delphine; Merle, Nicolas; Trivelli, Xavier; Capet, Frédéric; Gauvin, Régis M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 29
• Pages of publication: 10067 - 10081
• a: 11.5328 ± 0.0004 Å
• b: 16.019 ± 0.0006 Å
• c: 18.2909 ± 0.0007 Å
• α: 101.844 ± 0.002°
• β: 98.888 ± 0.002°
• γ: 105.898 ± 0.002°
• Cell volume: 3100 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.0547
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No