Information card for entry 4312166

Structure parameters

• Common name: ana269
• Formula: C75 H48 Cl4 F13 O3 P3 Pt S
• Calculated formula: C75 H48 Cl4 F13 O3 P3 Pt S
• SMILES: [Pd]1([P](C#Cc2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2c([P]1(c1ccccc1)c1ccccc1)c(c1ccccc1c2c1c(c(c(c(c1F)F)F)F)F)c1ccccc1)c1c(c(c(c(c1F)F)F)F)F.S(=O)(=O)([O-])C(F)(F)F.C(Cl)Cl.C(Cl)Cl
• Title of publication: Alkynyldiphenylphosphine d8 (Pt, Rh, Ir) Complexes: Contrasting Behavior toward cis-[Pt(C6F5)2(THF)2]
• Authors of publication: Jesús R. Berenguer; María Bernechea; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8185 - 8198
• a: 20.178 ± 0.0003 Å
• b: 15.3627 ± 0.0002 Å
• c: 23.0999 ± 0.0003 Å
• α: 90°
• β: 104.349 ± 0.001°
• γ: 90°
• Cell volume: 6937.32 ± 0.17 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 8
• 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: 0.0801
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No