Information card for entry 7047374

Structure parameters

• Formula: C30.5 H33 B Cl F4 N4 O2 P Pd
• Calculated formula: C30.5 H33 B Cl F4 N4 O2 P Pd
• Title of publication: Synthesis of new allyl palladium complexes bearing purine-based NHC ligands with antiproliferative and proapoptotic activities on human ovarian cancer cell lines.
• Authors of publication: Scattolin, Thomas; Caligiuri, Isabella; Canovese, Luciano; Demitri, Nicola; Gambari, Roberto; Lampronti, Ilaria; Rizzolio, Flavio; Santo, Claudio; Visentin, Fabiano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 38
• Pages of publication: 13616 - 13630
• a: 8.818 ± 0.002 Å
• b: 15.614 ± 0.003 Å
• c: 23.329 ± 0.005 Å
• α: 90°
• β: 94.9 ± 0.03°
• γ: 90°
• Cell volume: 3200.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No