Information card for entry 7043521

Structure parameters

• Formula: C14 H12 Br N O
• Calculated formula: C14 H12 Br N O
• SMILES: BrCC(=O)N(c1ccccc1)c1ccccc1
• Title of publication: Palladium(II) complexes of N, N-diphenylacetamide based thio/selenoethers and flower shaped Pd16S7 and prismatic Pd17Se15 nano-particles tailored from them as catalysts for C−C and C−O coupling
• Authors of publication: Singh, Poornima; Singh, Ajai kumar
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.398 ± 0.003 Å
• b: 13.898 ± 0.004 Å
• c: 10.247 ± 0.003 Å
• α: 90°
• β: 112.46 ± 0.006°
• γ: 90°
• Cell volume: 1236.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No