Information card for entry 4114277

Structure parameters

• Formula: C20 H24 N3 Pt
• Calculated formula: C20 H24 N3 Pt
• SMILES: [Pt]1(n2cccc2C=[N]1c1c(cccc1C(C)C)C(C)C)([N]#CC)C
• Title of publication: C-H Bond Activation by Unsymmetrical 2-(N-Arylimino)pyrrolide Pt Complexes: Geometric Effects on Reactivity
• Authors of publication: Carl N. Iverson; Charles A. G. Carter; R. Tom Baker; John D. Scollard; Jay A. Labinger; John E. Bercaw
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 12674 - 12675
• a: 24.0988 ± 0.0018 Å
• b: 11.5512 ± 0.0009 Å
• c: 42.783 ± 0.003 Å
• α: 90°
• β: 90.917 ± 0.001°
• γ: 90°
• Cell volume: 11908 ± 1.5 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 K
• Number of distinct elements: 4
• 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: 0.072
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.306
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No