Information card for entry 1564050

Structure parameters

• Formula: C52 H55 N O10 P2 Ru2 Si2
• Calculated formula: C52 H55 N O10 P2 Ru2 Si2
• SMILES: [Ru]12([Ru]([P](c3ccccc3)(c3ccccc3)c3ccccc3)(C#[O])(C#[O])([O]=C(CO[Si](C)(C)C)O1)OC(CO[Si](C)(C)C)=[O]2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O].CC#N
• 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: 10.5028 ± 0.0003 Å
• b: 13.6946 ± 0.0004 Å
• c: 20.5244 ± 0.0006 Å
• α: 72.1988 ± 0.0016°
• β: 85.7229 ± 0.0017°
• γ: 71.1619 ± 0.0014°
• Cell volume: 2659.21 ± 0.14 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0477
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No