Information card for entry 4083072

Structure parameters

• Common name: 3e-A
• Formula: C48 H30 B F24 N3 Pd
• Calculated formula: C48 H30 B F24 N3 Pd
• Title of publication: Reactivity of Bis(pyridyl)-N-alkylaminato Methylpalladium Complexes toward Ethylene: Insights from Experiment and Theory
• Authors of publication: Swarts, Andrew J.; Zheng, Feng; Smith, Vincent J.; Nordlander, Ebbe; Mapolie, Selwyn F.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2247
• a: 13.021 ± 0.003 Å
• b: 13.101 ± 0.003 Å
• c: 16.199 ± 0.004 Å
• α: 84.145 ± 0.004°
• β: 87.023 ± 0.004°
• γ: 62.217 ± 0.003°
• Cell volume: 2432 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No