Information card for entry 4081060

Structure parameters

• Formula: C34 H33 Br N P Pt
• Calculated formula: C34 H33 Br N P Pt
• SMILES: [Pt]1(Br)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([N](=Cc2c1cccc2)Cc1ccccc1)(C)C
• Title of publication: Regioselective C‒H Activation Preceded by Csp2‒Csp3Reductive Elimination from Cyclometalated Platinum(IV) Complexes
• Authors of publication: Anderson, Craig M.; Crespo, Margarita; Kfoury, Nicole; Weinstein, Michael A.; Tanski, Joseph M.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4199
• a: 13.8842 ± 0.0006 Å
• b: 15.7786 ± 0.0007 Å
• c: 26.5432 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5814.9 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No