Information card for entry 7109389

Structure parameters

• Formula: C26 H24 B F4 N4 Na O6 Pd2
• Calculated formula: C26 H24 B F4 N4 Na O6 Pd2
• SMILES: [Pd]12(c3[n+](cccc3c3c2[n+](ccc3)C)C)OC(=O)O1.[Pd]12(c3[n+](cccc3c3c2[n+](ccc3)C)C)OC(=O)O1.[Na+].[B](F)(F)(F)[F-]
• Title of publication: Pyridine-based dicarbene ligand; synthesis and structure of a bis-2-pyridylidene palladium complex
• Authors of publication: Tetsushi Yoshidomi; Yasutomo Segawa; Kenichiro Itami
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5648
• a: 6.894 ± 0.004 Å
• b: 10.276 ± 0.006 Å
• c: 18.762 ± 0.011 Å
• α: 89.999 ± 0.013°
• β: 86.53 ± 0.016°
• γ: 86.072 ± 0.014°
• Cell volume: 1323.6 ± 1.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0561
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No