Information card for entry 4075177

Structure parameters

• Formula: C21 H17 N3 Pt
• Calculated formula: C21 H17 N3 Pt
• SMILES: [Pt]1([n]2ccccc2c2n1c1c(c2)cccc1)([N]#CC)c1ccccc1
• 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: 10.295 ± 0.002 Å
• b: 26.794 ± 0.006 Å
• c: 12.618 ± 0.003 Å
• α: 90°
• β: 93.41 ± 0.003°
• γ: 90°
• Cell volume: 3474.4 ± 1.3 ų
• Cell temperature: 133.2 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: 0.0624
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.368
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No