Information card for entry 7710633

Structure parameters

• Formula: C36 H31 F3 O3 P2 Pd S
• Calculated formula: C36 H31 F3 O3 P2 Pd S
• SMILES: [Pd]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]16cccc[c]36[cH]4[cH]5[cH]21.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: 9.873 ± 0.002 Å
• b: 13.529 ± 0.003 Å
• c: 12.606 ± 0.003 Å
• α: 90°
• β: 105.15 ± 0.03°
• γ: 90°
• Cell volume: 1625.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.62 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No