Information card for entry 4086885

Structure parameters

• Formula: C26.5 H32 Cl2 N2 Pd
• Calculated formula: C26.5 H32 Cl2 N2 Pd
• SMILES: [Pd]1(Cl)([NH2]C(Cc2c(cccc2)[C@@H]2[C@H]1[C@H]1C=C[C@@H]2C1)(C)C)C#[N]c1c(cccc1C)C.C(Cl)Cl.[Pd]1(Cl)([NH2]C(Cc2c(cccc2)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1)(C)C)C#[N]c1c(cccc1C)C.C(Cl)Cl
• Title of publication: Norbornadiene as a Building Block for the Synthesis of Linked Benzazocinones and Benzazocinium Salts through Tetranuclear Carbopalladated Intermediates
• Authors of publication: García-López, José Antonio; Frutos-Pedreño, Roberto; Bautista, Delia; Saura-Llamas, Isabel; Vicente, José
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 2
• Pages of publication: 372
• a: 8.9593 ± 0.0009 Å
• b: 10.9676 ± 0.0011 Å
• c: 13.2131 ± 0.0013 Å
• α: 88.334 ± 0.002°
• β: 75.903 ± 0.002°
• γ: 84.385 ± 0.002°
• Cell volume: 1253.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No