Information card for entry 4063786

Structure parameters

• Formula: C29 H31 Br N4 O3 Pd
• Calculated formula: C29 H31 Br N4 O3 Pd
• SMILES: Br[Pd]1(c2c(NC(=[N]1c1ccccc1OC)Nc1ccccc1OC)c(ccc2)OC)[n]1c(cc(cc1)C)C
• 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: 10.4074 ± 0.0007 Å
• b: 15.0919 ± 0.001 Å
• c: 18.0657 ± 0.0012 Å
• α: 90°
• β: 95.409 ± 0.001°
• γ: 90°
• Cell volume: 2824.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0644
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No