Information card for entry 4085001

Structure parameters

• Formula: C39 H35 Cl N O P Pd
• Calculated formula: C39 H35 Cl N O P Pd
• SMILES: [Pd]1(c2ccccc2C(=[N]1Cc1ccccc1)c1ccccc1)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1.OC
• Title of publication: Cyclopalladated Benzophenone Imines: Synthesis, Antitumor Activity, Cell Accumulation, DNA Interaction, and Cathepsin B Inhibition
• Authors of publication: Albert, Joan; Granell, Jaume; Qadir, Romana; Quirante, Josefina; Calvis, Carme; Messeguer, Ramon; Badía, Josefa; Baldomà, Laura; Font-Bardia, Mercè; Calvet, Teresa
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7284
• a: 9.7531 ± 0.0011 Å
• b: 9.9649 ± 0.0011 Å
• c: 19.14 ± 0.002 Å
• α: 85.023 ± 0.004°
• β: 77.874 ± 0.004°
• γ: 61.344 ± 0.004°
• Cell volume: 1595.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No