Information card for entry 7716169

Structure parameters

• Formula: C18 H15 Cl N2 O2 Pd S
• Calculated formula: C18 H15 Cl N2 O2 Pd S
• SMILES: c1ccc2c3c(ccc2)N2C(=O)C[S](c4ccc(cc4)OC)[Pd]2(Cl)[n]13
• Title of publication: Pd(II) complexes bearing NNS pincer ligands: unveiling potent cytotoxicity against breast and pancreatic cancer.
• Authors of publication: Tanwar, Deepika; Kaur, Tashmeen; Sudheendranath, Athul; Kumar, Umesh; Sharma, Deepika
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 23
• Pages of publication: 9798 - 9811
• a: 5.0318 ± 0.0001 Å
• b: 15.513 ± 0.0004 Å
• c: 21.8863 ± 0.0006 Å
• α: 90°
• β: 94.618 ± 0.002°
• γ: 90°
• Cell volume: 1702.86 ± 0.07 ų
• Cell temperature: 293 ± 0.16 K
• Ambient diffraction temperature: 293 ± 0.16 K
• Number of distinct elements: 7
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No