Information card for entry 7117207

Structure parameters

• Formula: C62 H54 Cl6 P4 Ru
• Calculated formula: C62 H54 Cl6 P4 Ru
• Title of publication: Rapid Markovnikov addition of HCl to a pendant alkyne: evidence for a quinoidal cumulene
• Authors of publication: Samantha G. Eaves; Sam J. Hart; Adrian C. Whitwood; Dmitry S. Yufit; Paul J. Low; Jason M. Lynam
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 9362
• a: 12.3129 ± 0.0007 Å
• b: 14.9215 ± 0.0008 Å
• c: 18.0053 ± 0.0011 Å
• α: 67.588 ± 0.005°
• β: 85.054 ± 0.005°
• γ: 78.028 ± 0.005°
• Cell volume: 2991.6 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1876
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2459
• Weighted residual factors for all reflections included in the refinement: 0.3129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: Mo
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No