Information card for entry 7126879

Structure parameters

• Formula: C66 H56 Cl3 N O4 P4 Ru
• Calculated formula: C66 H56 Cl3 N O4 P4 Ru
• SMILES: [Ru]123([P](c4ccccc4)(c4ccccc4)C[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)c1[n+]2c(ccc1)cc(cc32)c1ccccc1.Cl(=O)(=O)(=O)[O-].ClCCl
• Title of publication: Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.
• Authors of publication: Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 63
• Pages of publication: 8908 - 8911
• a: 11.6796 ± 0.0002 Å
• b: 19.9722 ± 0.0003 Å
• c: 13.188 ± 0.0002 Å
• α: 90°
• β: 104.793 ± 0.001°
• γ: 90°
• Cell volume: 2974.36 ± 0.08 ų
• Cell temperature: 223.4 ± 0.8 K
• Ambient diffraction temperature: 223.4 ± 0.8 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No