Information card for entry 4063783

Structure parameters

• Formula: C50 H46 Cl6 F6 N6 O10 Pd2
• Calculated formula: C50 H46 Cl6 F6 N6 O10 Pd2
• SMILES: C1(C(F)(F)F)=[O][Pd]2([N](c3ccccc3OC)=C(Nc3ccccc3OC)Nc3c2cccc3OC)OC(C(F)(F)F)=[O][Pd]2([N](c3ccccc3OC)=C(Nc3ccccc3OC)Nc3c2cccc3OC)O1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Synthesis, Reactivity, Structural Aspects, and Solution Dynamics of Cyclopalladated Compounds ofN,N′,N′′-Tris(2-anisyl)guanidine
• Authors of publication: Gopi, Kanniyappan; Thirupathi, Natesan; Nethaji, Munirathinam
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 572
• a: 20.5592 ± 0.0016 Å
• b: 13.8844 ± 0.0011 Å
• c: 21.5284 ± 0.0017 Å
• α: 90°
• β: 108.011 ± 0.001°
• γ: 90°
• Cell volume: 5844.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No