Information card for entry 4023140

Structure parameters

• Formula: C16 H10 Cl I N2 Pt
• Calculated formula: C16 H10 Cl I N2 Pt
• SMILES: [Pt]12([n]3c(c4[n]1c(cc(I)c4)c1ccccc21)cccc3)Cl
• Title of publication: A Rational Protocol for the Synthesis of Arylated Bipyridine Ligands via a Cycloaddition Pathway
• Authors of publication: Stéphane Diring; Pascal Retailleau; Raymond Ziessel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 10181 - 10193
• a: 8.169 ± 0.001 Å
• b: 12.543 ± 0.002 Å
• c: 14.364 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1471.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No