Information card for entry 4075520

Structure parameters

• Common name: ana100
• Formula: C50 H34 F10 P2 Pt
• Calculated formula: C50 H34 F10 P2 Pt
• SMILES: [Pt]1([P](C(=C([P]1(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C#CC(C)(C)C)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: 10.819 ± 0.0003 Å
• b: 10.464 ± 0.0004 Å
• c: 20.272 ± 0.0006 Å
• α: 90°
• β: 101.693 ± 0.002°
• γ: 90°
• Cell volume: 2247.37 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No