Information card for entry 4078538

Structure parameters

• Formula: C33 H28 Br Cl N P Pt
• Calculated formula: C33 H28 Br Cl N P Pt
• SMILES: [Pt]1(Br)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[N](=Cc2c(C1)cccc2)Cc1ccc(Cl)cc1
• Title of publication: Reductive Elimination from Cyclometalated Platinum(IV) Complexes To Form Csp2‒Csp3Bonds and Subsequent Competition between Csp2‒H and Csp3‒H Bond Activation
• Authors of publication: Crespo, Margarita; Anderson, Craig M.; Kfoury, Nicole; Font-Bardia, Mercè; Calvet, Teresa
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4401
• a: 10.391 ± 0.004 Å
• b: 11.128 ± 0.003 Å
• c: 13.005 ± 0.004 Å
• α: 78.48 ± 0.02°
• β: 76.48 ± 0.02°
• γ: 79.07 ± 0.02°
• Cell volume: 1416.4 ± 0.8 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No