Information card for entry 4342203

Structure parameters

• Formula: C26.5 H29 Br Cl F6 N6 P Pd
• Calculated formula: C26.5 H29 Br Cl F6 N6 P Pd
• SMILES: C1(N(C(C)C)c2ccccc2N1C(C)C)=[Pd]1([n]2ccccc2n2cc(c3ccccc3)n[n]12)Br.C(Cl)Cl.[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: 18.585 ± 0.0002 Å
• b: 25.355 ± 0.0002 Å
• c: 26.306 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12396 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No