Information card for entry 7060953

Structure parameters

• Formula: C30 H24 F12 N6 O0 P2 Pd3 Se2
• Calculated formula: C30 H24 F12 N6 P2 Pd3 Se2
• SMILES: [Pd]12([n]3c(c4[n]1cccc4)cccc3)[Se]1[Pd]3([Se]2[Pd]21[n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Nuclearity growth of new PdII complexes induced by the electronic effect of selenium-containing ligands
• Authors of publication: Cechin, Camila N.; Cabral, Bruno N.; Bublitz, Fabrício; Bortolotto, Tanize; da Silveira, Géssica D.; de Carvalho, Leandro M.; Cargnelutti, Roberta; Abram, Ulrich; Nakagaki, Shirley; Lang, Ernesto S.; Tirloni, Bárbara
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 41
• Pages of publication: 19255 - 19263
• a: 12.8829 ± 0.0013 Å
• b: 14.2924 ± 0.0015 Å
• c: 16.5898 ± 0.0017 Å
• α: 72.297 ± 0.004°
• β: 70.672 ± 0.003°
• γ: 67.031 ± 0.004°
• Cell volume: 2599.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No