Information card for entry 4063787

Structure parameters

• Formula: C32 H33 Br Cl2 N4 O3 Pd
• Calculated formula: C32 H33 Br Cl2 N4 O3 Pd
• SMILES: Br[Pd]1([N](=C(Nc2c1cccc2OC)Nc1ccccc1OC)c1ccccc1OC)C#[N]c1c(C)cccc1C.C(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: 10.268 ± 0.004 Å
• b: 14.844 ± 0.007 Å
• c: 21.449 ± 0.009 Å
• α: 90°
• β: 94.897 ± 0.012°
• γ: 90°
• Cell volume: 3257 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1982
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2082
• Weighted residual factors for all reflections included in the refinement: 0.2727
• Goodness-of-fit parameter for all reflections included in the refinement: 0.784
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No