Information card for entry 4063782

Structure parameters

• Formula: C48 H50 N6 O10 Pd2
• Calculated formula: C48 H50 N6 O10 Pd2
• SMILES: C1(C)=[O][Pd]2(c3c(c(ccc3)OC)NC(=[N]2c2ccccc2OC)Nc2ccccc2OC)OC(C)=[O][Pd]2(c3c(c(ccc3)OC)NC(=[N]2c2ccccc2OC)Nc2ccccc2OC)O1
• 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: 15.7687 ± 0.0015 Å
• b: 15.769 ± 0.002 Å
• c: 19.401 ± 0.002 Å
• α: 90°
• β: 90 ± 0.3°
• γ: 90°
• Cell volume: 4824.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.768
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No