Information card for entry 7240395

Structure parameters

• Formula: C15 H23 B9 N2 O Ru
• Calculated formula: C15 H23 B9 N2 O Ru
• SMILES: [Ru]12345([n]6ccc(cc6c6[n]1ccc(c6)C)C)([CH]167[CH]892[BH]2%107[BH]7%116[BH]631[BH]135[BH]548[BH]49%10[BH]82%11[BH]761[BH]3548)C#[O]
• Title of publication: Ruthenium carboranyl complexes with 2,2′-bipyridine derivatives for potential bimodal therapy application
• Authors of publication: Teixeira, Ricardo G.; Marques, Fernanda; Robalo, M. Paula; Fontrodona, Xavier; Garcia, M. Helena; Geninatti Crich, Simonetta; Viñas, Clara; Valente, Andreia
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 28
• Pages of publication: 16266 - 16276
• a: 12.589 ± 0.002 Å
• b: 11.463 ± 0.002 Å
• c: 14.575 ± 0.002 Å
• α: 90°
• β: 111.301 ± 0.002°
• γ: 90°
• Cell volume: 1959.6 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No