Information card for entry 4063784

Structure parameters

• Formula: C50 H56 Br2 N6 O8 Pd2
• Calculated formula: C50 H56 Br2 N6 O8 Pd2
• SMILES: c1(ccccc1OC)[N]1=C(Nc2ccccc2OC)Nc2c([Pd]31[Br][Pd]1([N](c4ccccc4OC)=C(Nc4c1cccc4OC)Nc1ccccc1OC)[Br]3)cccc2OC.O=C(C)C.O=C(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: 10.432 ± 0.005 Å
• b: 10.795 ± 0.005 Å
• c: 22.836 ± 0.01 Å
• α: 90°
• β: 96.078 ± 0.007°
• γ: 90°
• Cell volume: 2557 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No