Information card for entry 4514253

Structure parameters

• Formula: C24 H20 N4 O3 Pd
• Calculated formula: C24 H20 N4 O3 Pd
• SMILES: [Pd]12([N]#CC)[n]3c4c(N1C(=O)[C@@H](N1C(=O)c5c(cccc5)C1=O)[C@@H](C2)C)cccc4ccc3
• Title of publication: Experimental and Computational Studies on Remote γ-C(sp3)‒H Silylation and Germanylation of Aliphatic Carboxamides
• Authors of publication: Deb, Arghya; Singh, Sukriti; Seth, Kapileswar; Pimparkar, Sandeep; Bhaskararao, Bangaru; Guin, Srimanta; Sunoj, Raghavan B.; Maiti, Debabrata
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 8171
• a: 8.323 ± 0.002 Å
• b: 11.108 ± 0.002 Å
• c: 11.747 ± 0.003 Å
• α: 95.97 ± 0.018°
• β: 98.14 ± 0.02°
• γ: 94.164 ± 0.018°
• Cell volume: 1065 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2606
• Residual factor for significantly intense reflections: 0.1739
• Weighted residual factors for significantly intense reflections: 0.3856
• Weighted residual factors for all reflections included in the refinement: 0.4866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No