Information card for entry 7035208

Structure parameters

• Formula: C28 H28 F12 N8 P2 Pd Se4
• Calculated formula: C28 H28 F12 N8 P2 Pd Se4
• SMILES: [P](F)(F)(F)(F)(F)[F-].C12N(C)C=CN1c1cccc(N3C=CN(C3=[Se][Pd]3([Se]=2)[Se]=C2N(C)C=CN2c2cccc(N4C=CN(C4=[Se]3)C)c2)C)c1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bis(chalcogenones) as pincer ligands: isolation and Heck activity of the selone-ligated unsymmetrical C,C,Se-Pd pincer complex.
• Authors of publication: Ghavale, Ninad; Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 11893 - 11900
• a: 6.82075 ± 0.00019 Å
• b: 10.9648 ± 0.0003 Å
• c: 25.1631 ± 0.0006 Å
• α: 90°
• β: 95.769 ± 0.002°
• γ: 90°
• Cell volume: 1872.37 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No