Information card for entry 4350092

Structure parameters

• Formula: C31 H33 Cl O6 Os
• Calculated formula: C31 H33 Cl O6 Os
• SMILES: c1c(c(ccc1/C=C/C1=CC(/C=C/c2ccc(c(c2)OC)O)=[O][Os]23456([c]7([cH]2[cH]3[c]4([cH]5[cH]67)C)C(C)C)(Cl)O1)O)OC
• Title of publication: Novel osmium(ii)‒cymene complexes containing curcumin and bisdemethoxycurcumin ligands
• Authors of publication: Pettinari, Riccardo; Marchetti, Fabio; Di Nicola, Corrado; Pettinari, Claudio; Cuccioloni, Massimiliano; Bonfili, Laura; Eleuteri, Anna Maria; Therrien, Bruno; Batchelor, Lucinda K.; Dyson, Paul J.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 2448
• a: 7.975 ± 0.0003 Å
• b: 22.7119 ± 0.0011 Å
• c: 32.7398 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5930.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1779
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.215
• Weighted residual factors for all reflections included in the refinement: 0.2565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No