Information card for entry 7713167

Structure parameters

• Formula: C38 H32 Cl P Ru
• Calculated formula: C38 H32 Cl P Ru
• SMILES: [Ru]123456(Cl)([P](c7ccccc7)(c7c8c1cc1cccc9c1c8c(cc9)cc7)c1ccccc1)[cH]1[c]2([cH]4[cH]5[c]6([cH]31)C)C(C)C
• Title of publication: Cytotoxicity of osmium(II) and cycloosmated half-sandwich complexes from 1-pyrenyl-containing phosphane ligands
• Authors of publication: Josa, Dana; Aguilà, David; Fontava, Pere; Soto-Cerrato, Vanessa; Herrera-Ramírez, Piedad; Rafols, Laia; Grabulosa, Arnald; Gamez, Patrick
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.4122 ± 0.0002 Å
• b: 23.0044 ± 0.0005 Å
• c: 12.2316 ± 0.0003 Å
• α: 90°
• β: 92.01 ± 0.001°
• γ: 90°
• Cell volume: 2927.99 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.0246
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No