Information card for entry 4074454

Structure parameters

• Formula: C60 H40 B Cl4 F36 N8 Na O11 Pd2
• Calculated formula: C60 H40 B Cl4 F36 N8 Na O11 Pd2
• SMILES: C(=[O]1)(C(F)(F)F)O[Pd]2(=C3N(CN4C=2N(C=C4)C)C=CN3C)OC(C(F)(F)F)=[O][Na]123([F]C(F)(F)c1cc(C(F)(F)F)cc(c1)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(C(F)(F)F)cc(c1)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)[F]3)[O]=C(O[Pd]1(=C3N(CN4C=1N(C=C4)C)C=CN3C)OC(=[O]2)C(F)(F)F)C(F)(F)F.ClCCl.O.O.ClCCl.O
• Title of publication: Cationic Palladium Bis-carbene Carboxylate Complexes
• Authors of publication: Slootweg, J. Chris; Chen, Peter
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 25
• Pages of publication: 5863
• a: 21.062 ± 0.0004 Å
• b: 21.4351 ± 0.0006 Å
• c: 21.2069 ± 0.0006 Å
• α: 90°
• β: 110.104 ± 0.001°
• γ: 90°
• Cell volume: 8990.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No