Information card for entry 1565776

Structure parameters

• Formula: C35 H46 B N9 O2 P2 Ru
• Calculated formula: C35 H46 B N9 O2 P2 Ru
• Title of publication: Insertion reactions of heteroallenes (CS2 and CO2) into the Ru-H bond of Cp′Ru(PTA)(PR3)H complexes (PTA = 1,3,5-triaza-7-phosphaadamantane)
• Authors of publication: Lanorio, Jocelyn P.; Frost, Brian J.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2019
• Journal volume: 498
• Pages of publication: 119138
• a: 15.4366 ± 0.0004 Å
• b: 14.5548 ± 0.0004 Å
• c: 16.4821 ± 0.0004 Å
• α: 90°
• β: 106.67°
• γ: 90°
• Cell volume: 3547.51 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No