Information card for entry 7105942

Structure parameters

• Formula: C19 H18 Cl N3 Pt
• Calculated formula: C19 H18 Cl N3 Pt
• SMILES: [Pt]12([n]3c(c4[n]1cccc4)cccc3N(C2(C)C)c1ccccc1)Cl
• Title of publication: Solvent-Controlled Switch of Selectivity between sp2 and sp3 C-H Bond Activation by Platinum (II)
• Authors of publication: Alexander W. Garner; Caleb F. Harris; Dileep A. K. Vezzu; Robert D. Pike; Shouquan Huo
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1902
• a: 8.1377 ± 0.0002 Å
• b: 16.8436 ± 0.0005 Å
• c: 24.7285 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3389.49 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No