Information card for entry 7713165

Structure parameters

• Formula: C38 H32 Cl Os P
• Calculated formula: C38 H32 Cl Os P
• SMILES: [Os]123456(Cl)([P](c7ccccc7)(c7ccccc7)c7c8c1cc1cccc9ccc(cc7)c8c19)[cH]1[cH]2[c]6([cH]4[cH]5[c]31C(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: 10.387 ± 0.0018 Å
• b: 23.025 ± 0.004 Å
• c: 12.199 ± 0.002 Å
• α: 90°
• β: 92.165 ± 0.011°
• γ: 90°
• Cell volume: 2915.4 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0527
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No