Information card for entry 4112030

Structure parameters

• Formula: C35 H14 B F15 N2 O2 Pt
• Calculated formula: C35 H14 B F15 N2 O2 Pt
• SMILES: [Pt]1([n]2ccccc2C(=O)c2cccc[n]12)(c1ccccc1)[OH][B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes
• Authors of publication: Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 14196 - 14197
• a: 11.3484 ± 0.0004 Å
• b: 20.7294 ± 0.0006 Å
• c: 27.347 ± 0.0009 Å
• α: 90°
• β: 95.87 ± 0.001°
• γ: 90°
• Cell volume: 6399.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1239
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No