Information card for entry 7701155

Structure parameters

• Formula: C40 H31 Cl O2 P2 Ru
• Calculated formula: C40 H31 Cl O2 P2 Ru
• 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: 23.9 ± 0.005 Å
• b: 10.45 ± 0.002 Å
• c: 29.67 ± 0.006 Å
• α: 90°
• β: 101.9 ± 0.03°
• γ: 90°
• Cell volume: 7251 ± 3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections: 0.148
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No