Information card for entry 4308311

Structure parameters

• Formula: C65 H70 Cl6 N8 O4 Pd2
• Calculated formula: C65 H70 Cl6 N8 O4 Pd2
• SMILES: [Pd]1(Cl)(Cl)[n]2n(c(cc2C)C)C(n2[n]1c(cc2C)C)Cc1cc(cc(c1)OCc1ccccc1)OCc1ccccc1.C(Cl)Cl
• Title of publication: Crystal Structures of Poly(aryl ether) Dendrons with Palladium Scorpionate Complexes at Their Focal Point
• Authors of publication: Alberto Sánchez-Méndez; Ernesto de Jesús; Juan C. Flores; Pilar Gómez-Sal
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4793 - 4795
• a: 12.8582 ± 0.001 Å
• b: 14.4619 ± 0.0013 Å
• c: 19.635 ± 0.003 Å
• α: 97.459 ± 0.011°
• β: 90.026 ± 0.009°
• γ: 116.091 ± 0.011°
• Cell volume: 3244.6 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1202
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1794
• Weighted residual factors for all reflections included in the refinement: 0.2167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No