Information card for entry 7060951

Structure parameters

• Formula: C32 H26 F12 N4 P2 Pd2 Se2
• Calculated formula: C32 H26 F12 N4 P2 Pd2 Se2
• SMILES: [Pd]12([n]3c(c4[n]2cccc4)cccc3)[Se]([Pd]2([n]3c(c4[n]2cccc4)cccc3)[Se]1c1ccccc1)c1ccccc1.[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: 15.7921 ± 0.0011 Å
• b: 46.834 ± 0.004 Å
• c: 16.0606 ± 0.0011 Å
• α: 90°
• β: 116.209 ± 0.002°
• γ: 90°
• Cell volume: 10657.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0802
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0821
• 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