Information card for entry 7701318

Structure parameters

• Formula: C82 H112 F12 N20 O2 P2 Pd
• Calculated formula: C82 H112 F12 N20 O2 P2 Pd
• Title of publication: Exploring different coordination modes of the first tetradentate NHC/1,2,3-triazole hybrid ligand for group 10 complexes.
• Authors of publication: Schlagintweit, Jonas F.; Nguyen, Linda; Dyckhoff, Florian; Kaiser, Felix; Reich, Robert M.; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 39
• Pages of publication: 14820 - 14828
• a: 10.2595 ± 0.0019 Å
• b: 11.748 ± 0.002 Å
• c: 20.722 ± 0.004 Å
• α: 104.056 ± 0.006°
• β: 92.793 ± 0.006°
• γ: 111.557 ± 0.005°
• Cell volume: 2226.8 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0897
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.2143
• Weighted residual factors for all reflections included in the refinement: 0.2181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No