Information card for entry 1568964

Structure parameters

• Chemical name: Bis{μ-1,1'-(<i>o</i>-xylylene)bis[4-(pyridin-2-yl)triazole]-κ<i>N</i>^3^:<i>N</i>^3'^}dipalladium(II) tetrakis(tetrafluoridoborate)–dimethylformamide–diethyl ether (1/2/1)
• Formula: C54 H60 B4 F16 N18 O3 Pd2
• Calculated formula: C54 H60 B4 F16 N18 O3 Pd2
• Title of publication: Synthesis and crystal structure of a PdII complex of ortho-xylylenebis(pyridyltriazole)
• Authors of publication: Pokharel, Uttam; Naquin, Aaron; Fronczek, Frank
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 4
• Pages of publication: x230362
• a: 8.3546 ± 0.0004 Å
• b: 12.4468 ± 0.0005 Å
• c: 15.4504 ± 0.0006 Å
• α: 85.54 ± 0.002°
• β: 79.66 ± 0.002°
• γ: 76.997 ± 0.002°
• Cell volume: 1538.86 ± 0.11 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No