Information card for entry 4081099

Structure parameters

• Common name: ng109
• Formula: C23 H16 Br2 F5 N Pt S
• Calculated formula: C23 H16 Br2 F5 N Pt S
• SMILES: [Pt]1(Br)(Br)([S]2CCCC2)([n]2cccc3ccc4cccc1c4c23)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Unexpected Formation of Ferrocenyl(vinyl)benzoquinoline Ligands by Oxidation of an Alkyne Benzoquinolate Platinum(II) Complex
• Authors of publication: Berenguer, Jesús R.; Fernández, Julio; Giménez, Nora; Lalinde, Elena; Moreno, M. Teresa; Sánchez, Sergio
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 14
• Pages of publication: 3943
• a: 8.0406 ± 0.0002 Å
• b: 25.3286 ± 0.0007 Å
• c: 12.4714 ± 0.0003 Å
• α: 90°
• β: 104.642 ± 0.001°
• γ: 90°
• Cell volume: 2457.4 ± 0.11 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No