Information card for entry 4075178

Structure parameters

• Formula: C15.5 H14 Cl3 N2 Pt
• Calculated formula: C15.5 H13 Cl2 N2 Pt
• SMILES: [Pt]12([n]3ccccc3c3n1c1c(c3)cccc1)[CH2]=[CH2]2.[Cl-].ClCCl
• Title of publication: Stoichiometric and Catalytic Arene Activations by Platinum Complexes Containing Bidentate Monoanionic Nitrogen-Based Ligands
• Authors of publication: Karshtedt, Dmitry; McBee, Jennifer L.; Bell, Alexis T.; Tilley, T. Don
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 1801
• a: 20.614 ± 0.003 Å
• b: 15.956 ± 0.002 Å
• c: 9.241 ± 0.001 Å
• α: 90°
• β: 101.447 ± 0.001°
• γ: 90°
• Cell volume: 2979.1 ± 0.7 ų
• Cell temperature: 138.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections included in the refinement: 0.0371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No