Information card for entry 4063678

Structure parameters

• Formula: C106.5 H110.5 Cl9.5 N2 O10 P6 Pd2
• Calculated formula: C106.5 H110.5 Cl9.5 N2 O10 P6 Pd2
• Title of publication: Dimetalated Crown Ether Schiff Base Palladacycles. Influence of the Carbon Chain Length on the Coordination Mode of Bidentate Phosphines. Crystal and Molecular Structure of the Novel Complex [Pd2{1,4-[C(H)═N{9,10-(C8H16O5)C6H3}]2C6H2-C2,C5}(Cl)2{μ-Ph2P(CH2)5PPh2}2]
• Authors of publication: Fernández, Alberto; López-Torres, Margarita; Castro-Juiz, Samuel; Merino, Manuel; Vázquez-García, Digna; Vila, José M.; Fernández, Jesús J.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 386
• a: 16.043 ± 0.0002 Å
• b: 16.6127 ± 0.0003 Å
• c: 22.0454 ± 0.0002 Å
• α: 90°
• β: 95.108 ± 0.001°
• γ: 90°
• Cell volume: 5852.15 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1247
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No