Information card for entry 7043862

Structure parameters

• Formula: C12 H23 B9 O2 Ru
• Calculated formula: C12 H23 B9 O2 Ru
• SMILES: [Ru]123456789([CH]%10%11%12[CH]%13%141[BH]1%157[BH]7%168[BH]89%10[BH]9%10%11[BH]%11%12%13[BH]%12%141[BH]1%157[BH]%1689[BH]%10%11%121)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C)C(=O)OCC
• 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: 8.3684 ± 0.0001 Å
• b: 12.5136 ± 0.0001 Å
• c: 16.4655 ± 0.0002 Å
• α: 90°
• β: 103.914 ± 0.001°
• γ: 90°
• Cell volume: 1673.65 ± 0.03 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.035
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No