Information card for entry 7046955

Structure parameters

• Formula: C34 H35 Cl2 N5 O9 Ru S3
• Calculated formula: C34 H35 Cl2 N5 O9 Ru S3
• Title of publication: Ruthenium-indolizinone complexes as a new class of metalated heterocyclic compounds: insight into unconventional alkyne activation pathways, revelation of unexpected electronic properties and exploration of medicinal application.
• Authors of publication: Chung, Lai-Hon; Ng, Sze-Wing; Yeung, Chi-Fung; Shek, Hau-Lam; Tse, Sheung-Ying; Lo, Hoi-Shing; Chan, Siu-Chung; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 37
• Pages of publication: 12838 - 12842
• a: 14.0052 ± 0.0002 Å
• b: 14.0258 ± 0.0002 Å
• c: 20.0904 ± 0.0003 Å
• α: 90°
• β: 106.91 ± 0.002°
• γ: 90°
• Cell volume: 3775.81 ± 0.1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• 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: 0.0355
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No