Information card for entry 4081046

Structure parameters

• Formula: C24 H22 N2 Pt
• Calculated formula: C24 H22 N2 Pt
• SMILES: [Pt]1([n]2ccccc2CCc2[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: 9.1014 ± 0.0005 Å
• b: 23.4725 ± 0.0013 Å
• c: 8.9432 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1910.56 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0548
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.565
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No