Information card for entry 7050829

Structure parameters

• Formula: C78 H80 Cl22 N4 O4 P2 Pd4
• Calculated formula: C78 H80 Cl22 N4 O4 P2 Pd4
• Title of publication: Sterically controlled reactivity of palladium(ii) tetranuclear cyclometallated complexes. Crystal and molecular structure of the novel tetranuclear compound [Pd2{1,3-[C(H)NCH2C4H7O]2C6H2}(µ-Cl)(Cl)(PPh3)]2Electronic supplementary information (ESI) available: 1H and 31P NMR data for compounds 1‒15 and 17. See http://www.rsc.org/suppdata/nj/b1/b111671a/
• Authors of publication: Fernández, Alberto; Pereira, Esther; Fernández, Jesús J.; López-Torres, Margarita; Suárez, Antonio; Mosteiro, Roberto; Pereira, M. Teresa; Vila, José M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 895
• a: 13.2641 ± 0.0003 Å
• b: 16.4647 ± 0.0003 Å
• c: 23.7877 ± 0.0005 Å
• α: 84.508 ± 0.001°
• β: 80.908 ± 0.001°
• γ: 67.808 ± 0.001°
• Cell volume: 4746.03 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No