Information card for entry 4070383

Structure parameters

• Formula: C65 H70 Cl2 F6 N4 O6 Pd2 S2
• Calculated formula: C65 H70 Cl2 F6 N4 O6 Pd2 S2
• SMILES: [Pd]12345([N](C)(C)CC[N]1(C)C)[c]16[c]2(c[c]27[Pd]89%10%11([N](C)(C)CC[N]8(C)C)[c]2(c1)[c]%11([c]%10([c]79Cc1ccccc1)c1ccccc1)c1ccccc1)[c]5([c]4([c]36Cc1ccccc1)c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.C(Cl)Cl
• Title of publication: Palladium-Assisted Formation of an Indacenediide Ligand
• Authors of publication: Vicente, José; Martínez-Viviente, Eloísa; Fernández-Rodríguez, María-José; Jones, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 20
• Pages of publication: 5845
• a: 13.6279 ± 0.0006 Å
• b: 13.807 ± 0.0006 Å
• c: 19.2244 ± 0.001 Å
• α: 93.796 ± 0.004°
• β: 103.789 ± 0.004°
• γ: 112.947 ± 0.004°
• Cell volume: 3183.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0413
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No