Information card for entry 4081062

Structure parameters

• Formula: C33 H29 Br N P Pt
• Calculated formula: C33 H29 Br N P Pt
• SMILES: [Pt]1(Br)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[N](=Cc2c(C1)cccc2)Cc1ccccc1
• 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: 10.7807 ± 0.0003 Å
• b: 10.8831 ± 0.0004 Å
• c: 12.6408 ± 0.0004 Å
• α: 77.368 ± 0.001°
• β: 76.311 ± 0.001°
• γ: 82.186 ± 0.001°
• Cell volume: 1400.55 ± 0.08 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No