Information card for entry 7113077

Structure parameters

• Formula: C22 H25 B Cl N O4 Pd Se
• Calculated formula: C22 H25 B Cl N O4 Pd Se
• SMILES: [Pd]12([Se](c3ccccc3)CCC[NH]2C(c2c1cccc2)c1c(O)cccc1)Cl.B(O)(O)O
• Title of publication: Palladacycle containing nitrogen and selenium: highly active pre-catalyst for the Suzuki-Miyaura coupling reaction and unprecedented conversion into nano-sized Pd17Se15.
• Authors of publication: Rao, Gyandshwar Kumar; Kumar, Arun; Ahmed, Jahangeer; Singh, Ajai Kumar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 32
• Pages of publication: 5954 - 5956
• a: 8.713 ± 0.005 Å
• b: 12.599 ± 0.007 Å
• c: 12.85 ± 0.007 Å
• α: 67.335 ± 0.009°
• β: 86.782 ± 0.009°
• γ: 70.283 ± 0.009°
• Cell volume: 1220.9 ± 1.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No