Information card for entry 4075620

Structure parameters

• Formula: C36 H38 N2 Pt
• Calculated formula: C36 H38 N2 Pt
• SMILES: [Pt]12(c3ccccc3c3[n]1c(cc(c3)C(C)(C)C)c1[n]2ccc(c1)C(C)(C)C)c1ccccc1.c1ccccc1
• Title of publication: Heterolytic CH Activation with a Cyclometalated Platinum(II) 6-Phenyl-4,4‘-di-tert-butyl-2,2-Bipyridine Complex
• Authors of publication: Young, Kenneth J. H.; Meier, Steven K.; Gonzales, Jason M.; Oxgaard, Jonas; Goddard, William A.; Periana, Roy A.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 4734
• a: 13.002 ± 0.002 Å
• b: 16.534 ± 0.003 Å
• c: 13.345 ± 0.002 Å
• α: 90°
• β: 95.971 ± 0.003°
• γ: 90°
• Cell volume: 2853.3 ± 0.8 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0417
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No