Information card for entry 4084839

Structure parameters

• Formula: C95 H84 Cl21 D7 F6 N4 O6 Pd2 S2
• Calculated formula: C95 H91 Cl21 F6 N4 O6 Pd2 S2
• Title of publication: Mono- and Dipalladated Derivatives of 2,5-Distyrylbenzene. Reactivity toward XyNC and Alkynes. Synthesis of Complexes with Indacenediide Ligands
• Authors of publication: Fernández-Rodr\?íguez, Mar\?ía-José; Mart\?ínez-Viviente, Elo\?ísa; Vicente, José; Jones, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2240
• a: 14.4062 ± 0.0012 Å
• b: 19.8994 ± 0.0016 Å
• c: 22.0291 ± 0.0018 Å
• α: 64.271 ± 0.004°
• β: 74.026 ± 0.004°
• γ: 88.309 ± 0.004°
• Cell volume: 5439.8 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1287
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No