Information card for entry 7710635

Structure parameters

• Formula: C44 H35 F3 Fe O3 P2 Pd S
• Calculated formula: C44 H35 F3 Fe O3 P2 Pd S
• SMILES: [Pd]12345([P]([c]67[Fe]89%10%11%12%13%14([cH]6[cH]8[cH]9[cH]7%10)[c]6([P]1(c1ccccc1)c1ccccc1)[cH]%11[cH]%12[cH]%13[cH]%146)(c1ccccc1)c1ccccc1)[c]16[c]3(cccc1)[cH]4[cH]5[cH]26.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Cationic Palladium(II)-Indenyl complexes bearing phosphines as ancillary ligands: synthesis, study of indenyl amination and anticancer activity
• Authors of publication: Scattolin, Thomas; Visentin, Fabiano; Bortolamiol, Enrica; Caligiuri, Isabella; Rizzolio, Flavio; Cavallo, Luigi; Zhang, Ziyun; Demitri, Nicola; Fama, Francesco
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.678 ± 0.002 Å
• b: 16.434 ± 0.003 Å
• c: 20.129 ± 0.004 Å
• α: 90°
• β: 106.35 ± 0.03°
• γ: 90°
• Cell volume: 3706.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0279
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.62 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No