Information card for entry 7707785

Structure parameters

• Chemical name: [Ru(H)(BH4)(n-BuNC)(PNPH)]
• Formula: C21 H51 B N2 P2 Ru
• Calculated formula: C21 H51 B N2 P2 Ru
• 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: 8.2348 ± 0.0003 Å
• b: 21.7388 ± 0.0009 Å
• c: 15.2363 ± 0.0006 Å
• α: 90°
• β: 103.19 ± 0.002°
• γ: 90°
• Cell volume: 2655.57 ± 0.18 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• 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: 0.0282
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No