Information card for entry 7043860

Structure parameters

• Formula: C12 H25 B9 Ru
• Calculated formula: C12 H25 B9 Ru
• Title of publication: Antiproliferative activity of (η6-arene)ruthenacarborane sandwich complexes against HCT116 and MCF7 cell lines
• Authors of publication: Hey-Hawkins, Evamarie; Gozzi, Marta; Schwarze, Benedikt; Sarosi, Menyhart B.; Drača, Dijana; Maksimovic-Ivanic, Danijela; Mijatovic, Sanja; Lönnecke, Peter
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 20.0453 ± 0.0004 Å
• b: 8.0704 ± 0.0001 Å
• c: 21.0222 ± 0.0004 Å
• α: 90°
• β: 100.727 ± 0.002°
• γ: 90°
• Cell volume: 3341.41 ± 0.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No