Information card for entry 7713159

Structure parameters

• Formula: C32 H37 Cl2 Os P
• Calculated formula: C32 H37 Cl2 Os P
• SMILES: [Os]12345(Cl)(Cl)([P](C(C)C)(C(C)C)c6c7c8c(ccc9c8c(ccc9)cc7)cc6)[cH]6[cH]1[c]5([cH]2[cH]4[c]36C(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: 9.457 ± 0.0005 Å
• b: 12.5735 ± 0.0006 Å
• c: 13.3284 ± 0.0007 Å
• α: 68.196 ± 0.002°
• β: 85.911 ± 0.002°
• γ: 72.52 ± 0.002°
• Cell volume: 1402.07 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No