Information card for entry 4081044

Structure parameters

• Formula: C23 H20 N2 Pt
• Calculated formula: C23 H20 N2 Pt
• SMILES: [Pt]1([n]2ccccc2Cc2[n]1cccc2)(c1ccccc1)c1ccccc1
• Title of publication: Control of Olefin Hydroarylation Catalysis via a Sterically and Electronically Flexible Platinum(II) Catalyst Scaffold
• Authors of publication: McKeown, Bradley A.; Gonzalez, Hector Emanuel; Michaelos, Thoe; Gunnoe, T. Brent; Cundari, Thomas R.; Crabtree, Robert H.; Sabat, Michal
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 14
• Pages of publication: 3903
• a: 5.6282 ± 0.0006 Å
• b: 18.1085 ± 0.0018 Å
• c: 9.0735 ± 0.0009 Å
• α: 90°
• β: 100.92 ± 0.002°
• γ: 90°
• Cell volume: 908.01 ± 0.16 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No