Information card for entry 7708794

Structure parameters

• Formula: C25 H26 Cl2 N2 Pd
• Calculated formula: C25 H26 Cl2 N2 Pd
• SMILES: [Pd]12(Cl)(Cl)[n]3c(C(=[C]2=C(c2[n]1c(ccc2)C)C(C)(C)C)c1ccccc1)cccc3C
• Title of publication: Precious metal complexes of bis(pyridyl)allenes: synthesis and catalytic and medicinal applications
• Authors of publication: Maliszewska, Hanna K.; Arnau del Valle, Carla; Xia, Ying; Marín, María J.; Waller, Zoë A. E.; Muñoz, María Paz
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 9.356 ± 0.0003 Å
• b: 14.1423 ± 0.0004 Å
• c: 17.553 ± 0.0005 Å
• α: 90°
• β: 103.017 ± 0.003°
• γ: 90°
• Cell volume: 2262.85 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No