Information card for entry 4347068

Structure parameters

• Formula: C60 H55 Cl7 N4 O9 Os
• Calculated formula: C60 H53 Cl7 N4 O9 Os
• SMILES: [Os]123456(Cl)([n]7c(ccc(C(=O)OCCOC(=O)Cc8c(Nc9c(Cl)cccc9Cl)cccc8)c7)c7[n]1cc(cc7)C(=O)OCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.[Cl-].c1(ccccc1)Cl.O
• Title of publication: Nonsteroidal Anti-inflammatory-Organometallic Anticancer Compounds.
• Authors of publication: Păunescu, Emilia; McArthur, Sarah; Soudani, Mylène; Scopelliti, Rosario; Dyson, Paul J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1788 - 1808
• a: 26.219 ± 0.009 Å
• b: 13.193 ± 0.007 Å
• c: 20.409 ± 0.008 Å
• α: 90°
• β: 112.12 ± 0.03°
• γ: 90°
• Cell volume: 6540 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1481
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2037
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No