Information card for entry 4077374

Structure parameters

• Formula: C150 H112 F20 N2 O2 P8 Pt3
• Calculated formula: C150 H112 F20 N2 O2 P8 Pt3
• SMILES: N(=[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C.c1ccc([P]2([Pt]3([P](c4ccccc4)(c4ccccc4)[Pt]2(c2c(c(c(c(c2F)F)F)F)F)c2c(c(F)c(c(c2F)F)F)F)[P](c2ccccc2)(c2ccccc2)[Pt](c2c(c(c(c(c2F)F)F)F)F)(c2c(c(F)c(c(c2F)F)F)F)[P]3(c2ccccc2)c2ccccc2)c2ccccc2)cc1.N(=[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C
• Title of publication: Synthesis of Homo- or Hetero-trinuclear Palladium(II)/Platinum(II) Compounds with Bridging Phosphido Ligands. Crystal and Electronic Structures (DFT) of [N(PPh3)2]2[Pt3(μ-PPh2)4(C6F5)4] and of Its Oxidation Product [Pt3(C6F5)4(μ-PPh2)4]†
• Authors of publication: Alonso, Ester; Casas, José María; Forniés, Juan; Fortuño, Consuelo; Martín, Antonio; Orpen, A. Guy; Tsipis, Constantinos A.; Tsipis, Athanassios C.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 26
• Pages of publication: 5571
• a: 12.663 ± 0.002 Å
• b: 15.332 ± 0.003 Å
• c: 19.264 ± 0.005 Å
• α: 67.2 ± 0.02°
• β: 85.37 ± 0.02°
• γ: 75.337 ± 0.014°
• Cell volume: 3334.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.0843
• Goodness-of-fit parameter for all reflections: 1.204
• Goodness-of-fit parameter for significantly intense reflections: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No