Information card for entry 1564049

Structure parameters

• Formula: C44 H36 O10 P2 Ru2
• Calculated formula: C44 H36 O10 P2 Ru2
• Title of publication: Encapsulating ruthenium in silica using a single source precursor: Differing outcomes for a cycloaddition reaction
• Authors of publication: Barik, Chandan Kr; Ganguly, Rakesh; Garcia, Felipe; Leong, Weng Kee
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 512
• Pages of publication: 119833
• a: 10.4234 ± 0.0009 Å
• b: 19.009 ± 0.0013 Å
• c: 20.6686 ± 0.0015 Å
• α: 90°
• β: 99.086 ± 0.003°
• γ: 90°
• Cell volume: 4043.9 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No