Information card for entry 4342202

Structure parameters

• Formula: C23 H26 Br F6 N4 P Pd
• Calculated formula: C23 H26 Br F6 N4 P Pd
• SMILES: c1(N(C(C)C)c2ccccc2N1C(C)C)=[Pd]1([n]2c(c3cccc[n]13)cccc2)Br.[P](F)(F)(F)(F)(F)[F-]
• 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: 18.1877 ± 0.001 Å
• b: 9.2122 ± 0.0003 Å
• c: 16.8419 ± 0.0009 Å
• α: 90°
• β: 116.081 ± 0.007°
• γ: 90°
• Cell volume: 2534.5 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0672
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No