Information card for entry 7062615

Structure parameters

• Formula: C36 H36 N3 O3 P Pd S
• Calculated formula: C36 H36 N3 O3 P Pd S
• SMILES: C1C2=C(O[Pd]3([N]=1N=C(S3)NC1CCCCC1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1OC2OC
• Title of publication: Michael addition-driven synthesis of cytotoxic palladium(ii) complexes from chromone thiosemicarbazones: investigation of anticancer activity through in vitro and in vivo studies
• Authors of publication: Haribabu, Jebiti; Balakrishnan, Nithya; Swaminathan, Srividya; Dorairaj, Dorothy Priyanka; Azam, Mohammad; Subarkhan, Mohamed Kasim Mohamed; Chang, Yu-Lun; Hsu, Sodio C. N.; Štarha, Pavel; Karvembu, Ramasamy
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 15748 - 15759
• a: 14.9766 ± 0.0003 Å
• b: 15.6463 ± 0.0003 Å
• c: 14.7578 ± 0.0003 Å
• α: 90°
• β: 107.475 ± 0.002°
• γ: 90°
• Cell volume: 3298.57 ± 0.12 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0364
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No