Information card for entry 4086886

Structure parameters

• Formula: C57 H78 Cl4 N4 O Pd4
• Calculated formula: C57 H78 Cl4 N4 O Pd4
• 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: 13.9021 ± 0.0007 Å
• b: 21.0322 ± 0.001 Å
• c: 25.4325 ± 0.0013 Å
• α: 68.0191 ± 0.0015°
• β: 74.2299 ± 0.0017°
• γ: 87.0352 ± 0.0017°
• Cell volume: 6625.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No