Information card for entry 4075523

Structure parameters

• Common name: ana145
• Formula: C44 H26 F10 P2 Pt
• Calculated formula: C44 H26 F10 P2 Pt
• SMILES: [Pt]1([P](C=C([P]1(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Contrasting Thermal and Photochemical Intramolecular Coupling in Alkynylphosphine Platinum(II) Complexes
• Authors of publication: García, Ana; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 3926
• a: 10.6341 ± 0.0002 Å
• b: 15.9946 ± 0.0003 Å
• c: 22.678 ± 0.0004 Å
• α: 90°
• β: 91.355 ± 0.001°
• γ: 90°
• Cell volume: 3856.18 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0838
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0788
• 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