Information card for entry 7126885

Structure parameters

• Formula: C35 H28 Cl N5 O5 Ru
• Calculated formula: C35 H28 Cl N5 O5 Ru
• SMILES: [Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)c1ccccc1c1c3c[n+]2ccccc2c1.Cl(=O)(=O)(=O)[O-].O
• 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: 9.9119 ± 0.0001 Å
• b: 14.4815 ± 0.0002 Å
• c: 21.9881 ± 0.0003 Å
• α: 90°
• β: 97.114 ± 0.001°
• γ: 90°
• Cell volume: 3131.86 ± 0.07 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0532
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No