Information card for entry 7701459

Structure parameters

• Formula: C38 H31 Cl N3 P Pd S
• Calculated formula: C38 H31 Cl N3 P Pd S
• Title of publication: Palladium (II) complexes with thiosemicarbazones derived from pyrene as topoisomerase IB inhibitors
• Authors of publication: Oliveira, Carolina Gonçalves; Romero-Canelon, Isolda; Silva, Monize M.; Coverdale, James; da Silva Maia, Pedro Ivo; Batista, Alzir A.; Castelli, Silvia; Desideri, Alessandro; Sadler, Peter J.; Deflon, Victor Marcelo Marcelo
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 14.2704 ± 0.0011 Å
• b: 12.0045 ± 0.0008 Å
• c: 21.2465 ± 0.0016 Å
• α: 90°
• β: 109.283 ± 0.002°
• γ: 90°
• Cell volume: 3435.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0319
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No