Information card for entry 4081098

Structure parameters

• Common name: ng101
• Formula: C23 H16 F5 I2 N Pt S
• Calculated formula: C23 H16 F5 I2 N Pt S
• SMILES: [Pt]1(I)(I)([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: 8.4155 ± 0.0004 Å
• b: 14.3312 ± 0.0007 Å
• c: 19.5012 ± 0.0011 Å
• α: 90°
• β: 95.981 ± 0.002°
• γ: 90°
• Cell volume: 2339.1 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0655
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No