Information card for entry 4342192

Structure parameters

• Formula: C32 H30 B2 F8 N10 Pd
• Calculated formula: C32 H30 B2 F8 N10 Pd
• SMILES: [B](F)(F)(F)[F-].CC#N.[Pd]12([n]3ccccc3n3cc(Cc4ccccc4)n[n]13)[n]1ccccc1n1cc(Cc3ccccc3)n[n]21.[B](F)(F)(F)[F-].CC#N
• Title of publication: Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole "Click" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.
• Authors of publication: Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1572 - 1587
• a: 10.3552 ± 0.0002 Å
• b: 11.4167 ± 0.0002 Å
• c: 14.5647 ± 0.0002 Å
• α: 90°
• β: 96.576 ± 0.001°
• γ: 90°
• Cell volume: 1710.54 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No