Information card for entry 4081061

Structure parameters

• Formula: C33 H29 Br N P Pt
• Calculated formula: C33 H29 Br N P Pt
• SMILES: [Pt]1(c2cccc(C)c2C=[N]1Cc1ccccc1)(Br)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.9014 ± 0.0005 Å
• b: 8.7318 ± 0.0005 Å
• c: 31.9308 ± 0.0017 Å
• α: 90°
• β: 93.933 ± 0.001°
• γ: 90°
• Cell volume: 2754.1 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• 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: 0.039
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No