Information card for entry 7701156

Structure parameters

• Formula: C50 H55 N O P2 Ru S2 Si2
• Calculated formula: C50 H55 N O P2 Ru S2 Si2
• Title of publication: Hydrogenating an Organometallic Carbon Chain: Buten-yn-diyl (CH=CHC\τb C) as a Missing Link
• Authors of publication: Hill, Anthony; Bartlett, Michael J.; Sharma, Manab; Smith, Matthew K.; Ward, Jas S.
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 12.434 ± 0.005 Å
• b: 13.181 ± 0.005 Å
• c: 17.57 ± 0.005 Å
• α: 80.94 ± 0.005°
• β: 71.44 ± 0.005°
• γ: 83.977 ± 0.005°
• Cell volume: 2691.1 ± 1.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections: 0.1925
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9931
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No