Information card for entry 7713162

Structure parameters

• Formula: C32 H36 I Os P
• Calculated formula: C32 H36 I Os P
• SMILES: [Os]123456(I)([P](C(C)C)(C(C)C)c7c8c1cc1c9c8c(cc7)ccc9ccc1)[c]1(C)[cH]4[cH]3[c]6([cH]2[cH]51)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: 8.0291 ± 0.0009 Å
• b: 30.691 ± 0.004 Å
• c: 11.1593 ± 0.0013 Å
• α: 90°
• β: 97.985 ± 0.003°
• γ: 90°
• Cell volume: 2723.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0879
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2362
• Weighted residual factors for all reflections included in the refinement: 0.2362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.72931 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No