Information card for entry 7701159

Structure parameters

• Formula: C48 H40 Cl2 O2 P2 Ru S
• Calculated formula: C48 H40 Cl2 O2 P2 Ru S
• 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: 9.997 ± 0.005 Å
• b: 13.079 ± 0.005 Å
• c: 16.586 ± 0.005 Å
• α: 100.126 ± 0.005°
• β: 91.282 ± 0.005°
• γ: 93.454 ± 0.005°
• Cell volume: 2129.8 ± 1.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No