Information card for entry 7713166

Structure parameters

• Formula: C38 H32 I P Ru
• Calculated formula: C38 H32 I P Ru
• SMILES: I[Ru]123456([P](c7ccccc7)(c7ccccc7)c7c8c1cc1cccc9c1c8c(cc9)cc7)[cH]1[c]6([cH]4[cH]2[c]3([cH]51)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: 8.7245 ± 0.0004 Å
• b: 8.5212 ± 0.0005 Å
• c: 39.477 ± 0.002 Å
• α: 90°
• β: 95.658 ± 0.003°
• γ: 90°
• Cell volume: 2920.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.1 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: 0.0669
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No